data_YCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.7
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   116.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr(WO4)2
_chemical_formula_sum   'Y2 Cr2 W4 O16'
_cell_volume   296.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.45  0.9  0.45  1.0
  Y  Y1  1  0.06  0.8  0.34  1.0
  Cr  Cr2  1  0.8  0.8  0.45  1.0
  Cr  Cr3  1  0.4  0.91  0.34  1.0
  W  W4  1  0.34  0.78  0.04  1.0
  W  W5  1  0.57  0.78  0.86  1.0
  W  W6  1  0.17  0.93  0.75  1.0
  W  W7  1  0.94  0.93  0.93  1.0
  O  O8  1  0.43  0.66  0.5  1.0
  O  O9  1  0.48  0.66  0.4  1.0
  O  O10  1  0.08  0.05  0.3  1.0
  O  O11  1  0.03  0.05  0.39  1.0
  O  O12  1  0.47  0.6  0.66  1.0
  O  O13  1  0.65  0.6  0.03  1.0
  O  O14  1  0.04  0.11  0.13  1.0
  O  O15  1  0.86  0.11  0.76  1.0
  O  O16  1  0.51  0.24  0.66  1.0
  O  O17  1  0.4  0.24  0.23  1.0
  O  O18  1  1.0  0.47  0.13  1.0
  O  O19  1  0.11  0.47  0.56  1.0
  O  O20  1  0.44  0.66  0.96  1.0
  O  O21  1  0.07  0.04  0.83  1.0
  O  O22  1  0.47  0.66  0.94  1.0
  O  O23  1  0.04  0.04  0.85  1.0

data_YCr(WO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.7
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   92.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr(WO4)2
_chemical_formula_sum   'Y2 Cr2 W4 O16'
_cell_volume   296.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.01  0.1  0.55  1.0
  Y  Y1  1  0.71  0.2  0.66  1.0
  Cr  Cr2  1  0.06  0.09  0.66  1.0
  Cr  Cr3  1  0.35  0.2  0.55  1.0
  W  W4  1  0.01  0.07  0.07  1.0
  W  W5  1  0.3  0.22  0.96  1.0
  W  W6  1  0.42  0.07  0.25  1.0
  W  W7  1  0.71  0.22  0.14  1.0
  O  O8  1  0.08  0.34  0.6  1.0
  O  O9  1  0.1  0.89  0.24  1.0
  O  O10  1  0.16  0.76  0.77  1.0
  O  O11  1  0.19  0.96  0.15  1.0
  O  O12  1  0.24  0.96  0.17  1.0
  O  O13  1  0.48  0.34  0.04  1.0
  O  O14  1  0.53  0.34  0.06  1.0
  O  O15  1  0.56  0.53  0.44  1.0
  O  O16  1  0.62  0.4  0.97  1.0
  O  O17  1  0.64  0.95  0.61  1.0
  O  O18  1  0.78  0.95  0.7  1.0
  O  O19  1  0.81  0.4  0.34  1.0
  O  O20  1  0.85  0.76  0.34  1.0
  O  O21  1  0.87  0.53  0.87  1.0
  O  O22  1  0.91  0.89  0.87  1.0
  O  O23  1  0.94  0.34  0.5  1.0

Y Y Cr Cr W W W W O O O O O O O O O O O O O O O O
Y Y Cr Cr W W W W O O O O O O O O O O O O O O O O 0 3 o o o 0 2 o o o 1 11 o + o 1 10 o + o 1 2 - o o 2 9 o o o 2 3 o o o 2 11 + + o 3 17 o + o 4 20 o o - 5 22 o o o 6 21 o + o 7 23 + + o 8 9 o o o 8 12 o o o 10 11 o o o 10 14 o o o 10 17 o o o 12 19 o o o 12 16 o o o 13 22 o o - 13 20 o o - 13 18 o o o 14 18 - o o 14 17 o o o 15 23 + o o 15 21 + o o 15 16 o o o 17 18 - o o 20 22 o o o 21 23 o o o 
YCr(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Cr(2), one O(1), one O(2), and one O(9) atom. The Y(1)-Cr(2) bond length is 1.05 Å. The Y(1)-O(1) bond length is 1.51 Å. The Y(1)-O(2) bond length is 1.51 Å. The Y(1)-O(9) bond length is 2.94 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one O(11), one O(2), one O(3), and one O(4) atom. The Y(2)-O(11) bond length is 2.94 Å. The Y(2)-O(2) bond length is 2.20 Å. The Y(2)-O(3) bond length is 1.51 Å. The Y(2)-O(4) bond length is 1.51 Å. There are four inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one O(11); one O(13,14); and one O(6) atom. The W(1)-O(11) bond length is 2.99 Å. The W(1)-O(13,14) bond length is 1.34 Å. The W(1)-O(6) bond length is 1.97 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one O(15,16); one O(5); and one O(6) atom. The W(2)-O(15,16) bond length is 1.34 Å. The W(2)-O(5) bond length is 2.26 Å. The W(2)-O(6) bond length is 1.98 Å. In the third W site, W(3) is bonded in a single-bond geometry to one O(13,14); one O(8); and one O(9) atom. The W(3)-O(13,14) bond length is 1.34 Å. The W(3)-O(8) bond length is 1.97 Å. The W(3)-O(9) bond length is 2.99 Å. In the fourth W site, W(4) is bonded in a distorted single-bond geometry to one O(15,16); one O(7); and one O(8) atom. The W(4)-O(15,16) bond length is 1.34 Å. The W(4)-O(7) bond length is 2.26 Å. The W(4)-O(8) bond length is 1.98 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to one O(12), one O(2), and one O(4) atom. The Cr(1)-O(12) bond length is 2.45 Å. The Cr(1)-O(2) bond length is 1.77 Å. The Cr(1)-O(4) bond length is 2.15 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Y(1), one O(10), one O(2), and one O(3) atom. The Cr(2)-O(10) bond length is 2.22 Å. The Cr(2)-O(2) bond length is 1.53 Å. The Cr(2)-O(3) bond length is 1.77 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Y(1) and one O(2) atom. The O(1)-O(2) bond length is 1.16 Å. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Cr(1), one Cr(2), and one O(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Y(2) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Y(2) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one W(2) and one O(9) atom. The O(5)-O(9) bond length is 2.08 Å. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one W(1); one W(2); one O(11); one O(13,14); and one O(15,16) atom. The O(6)-O(11) bond length is 1.85 Å. The O(6)-O(13,14) bond length is 1.10 Å. The O(6)-O(15,16) bond length is 1.09 Å. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one W(4), one O(10), and one O(11) atom. The O(7)-O(10) bond length is 1.85 Å. The O(7)-O(11) bond length is 2.08 Å. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one W(3); one W(4); one O(13,14); one O(15,16); and one O(9) atom. The O(8)-O(13,14) bond length is 1.10 Å. The O(8)-O(15,16) bond length is 1.09 Å. The O(8)-O(9) bond length is 1.85 Å. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Y(1), one W(3), one O(5), and one O(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cr(2) and one O(7) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Y(2), one W(1), one O(6), and one O(7) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one Cr(1) atom. In the thirteenth O site, O(13,14) is bonded in a bent 150 degrees geometry to one W(1); one O(15,16); and one O(6) atom. The O(13,14)-O(15,16) bond length is 0.35 Å. In the fourteenth O site, O(15,16) is bonded in a distorted bent 150 degrees geometry to one W(2); one O(13,14); and one O(6) atom.