data_YVP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.49
_cell_length_c   9.16
_cell_angle_alpha   90.89
_cell_angle_beta   90.72
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVP3
_chemical_formula_sum   'Y4 V4 P12'
_cell_volume   381.44
_cell_formula_units_Z   4
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  Y16  1  0.62  0.12  0.58  1.0
  Y  Y17  1  0.7  0.25  0.98  1.0
  Y  Y18  1  0.54  0.23  0.58  1.0
  Y  Y19  1  0.46  0.09  0.18  1.0
  V  V12  1  0.14  0.25  0.0  1.0
  V  V13  1  0.87  0.17  0.58  1.0
  V  V14  1  0.0  0.0  0.0  1.0
  V  V15  1  0.15  0.93  0.58  1.0
  P  P0  1  0.34  0.23  0.97  1.0
  P  P1  1  0.93  0.13  0.11  1.0
  P  P2  1  0.82  0.11  0.19  1.0
  P  P3  1  0.23  0.22  0.05  1.0
  P  P4  1  0.26  0.63  0.59  1.0
  P  P5  1  0.68  0.67  0.04  1.0
  P  P6  1  0.9  0.71  0.57  1.0
  P  P7  1  0.48  0.68  0.13  1.0
  P  P8  1  0.71  0.89  0.2  1.0
  P  P9  1  0.76  0.4  0.71  1.0
  P  P10  1  0.45  0.46  0.96  1.0
  P  P11  1  0.4  0.95  0.45  1.0

data_YVP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.41
_cell_length_b   6.49
_cell_length_c   9.16
_cell_angle_alpha   90.89
_cell_angle_beta   90.72
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVP3
_chemical_formula_sum   'Y4 V4 P12'
_cell_volume   381.44
_cell_formula_units_Z   4
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  0.46  0.09  0.18  1.0
  Y  Y1  1  0.54  0.23  0.58  1.0
  Y  Y2  1  0.62  0.12  0.58  1.0
  Y  Y3  1  0.7  0.25  0.98  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.14  0.25  0.0  1.0
  V  V6  1  0.15  0.93  0.58  1.0
  V  V7  1  0.87  0.17  0.58  1.0
  P  P8  1  0.23  0.22  0.05  1.0
  P  P9  1  0.26  0.63  0.59  1.0
  P  P10  1  0.34  0.23  0.97  1.0
  P  P11  1  0.4  0.95  0.45  1.0
  P  P12  1  0.45  0.46  0.96  1.0
  P  P13  1  0.48  0.68  0.13  1.0
  P  P14  1  0.68  0.67  0.04  1.0
  P  P15  1  0.71  0.89  0.2  1.0
  P  P16  1  0.76  0.4  0.71  1.0
  P  P17  1  0.82  0.11  0.19  1.0
  P  P18  1  0.9  0.71  0.57  1.0
  P  P19  1  0.93  0.13  0.11  1.0

Y Y Y Y V V V V P P P P P P P P P P P P
YVP3 crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Y(3), one V(2), and one P(12) atom. The Y(1)-Y(3) bond length is 0.89 Å. The Y(1)-V(2) bond length is 1.67 Å. The Y(1)-P(12) bond length is 2.09 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one P(1), one P(10), one P(11), one P(2), one P(3), and one P(6) atom. The Y(2)-P(1) bond length is 2.34 Å. The Y(2)-P(10) bond length is 2.70 Å. The Y(2)-P(11) bond length is 2.14 Å. The Y(2)-P(2) bond length is 2.06 Å. The Y(2)-P(3) bond length is 2.28 Å. The Y(2)-P(6) bond length is 2.73 Å. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one Y(1), one P(10), and one P(5) atom. The Y(3)-P(10) bond length is 2.09 Å. The Y(3)-P(5) bond length is 3.21 Å. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one P(1), one P(12), one P(3), one P(4), one P(8), and one P(9) atom. The Y(4)-P(1) bond length is 2.28 Å. The Y(4)-P(12) bond length is 2.70 Å. The Y(4)-P(3) bond length is 2.34 Å. The Y(4)-P(4) bond length is 2.06 Å. The Y(4)-P(8) bond length is 2.73 Å. The Y(4)-P(9) bond length is 2.14 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one P(1), one P(2), and one P(4) atom. The V(1)-P(1) bond length is 1.32 Å. The V(1)-P(2) bond length is 1.84 Å. The V(1)-P(4) bond length is 0.76 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to one Y(1) and one P(10) atom. The V(2)-P(10) bond length is 2.02 Å. In the third V site, V(3) is bonded in a single-bond geometry to one P(2) and one P(6) atom. The V(3)-P(2) bond length is 1.40 Å. The V(3)-P(6) bond length is 2.98 Å. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one P(12), one P(5), and one P(7) atom. The V(4)-P(12) bond length is 2.02 Å. The V(4)-P(5) bond length is 2.06 Å. The V(4)-P(7) bond length is 2.11 Å. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Y(2), one Y(4), one V(1), one P(11), and one P(4) atom. The P(1)-P(11) bond length is 1.62 Å. The P(1)-P(4) bond length is 1.04 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Y(2), one V(1), one V(3), and one P(3) atom. The P(2)-P(3) bond length is 1.04 Å. In the third P site, P(3) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), one P(2), and one P(9) atom. The P(3)-P(9) bond length is 1.62 Å. In the fourth P site, P(4) is bonded in a distorted single-bond geometry to one Y(4), one V(1), and one P(1) atom. In the fifth P site, P(5) is bonded in a 2-coordinate geometry to one Y(3) and one V(4) atom. In the sixth P site, P(6) is bonded in a 5-coordinate geometry to one Y(2), one V(3), one P(11), one P(8), and one P(9) atom. The P(6)-P(11) bond length is 2.06 Å. The P(6)-P(8) bond length is 1.52 Å. The P(6)-P(9) bond length is 2.04 Å. In the seventh P site, P(7) is bonded in a distorted single-bond geometry to one V(4) atom. In the eighth P site, P(8) is bonded in a 4-coordinate geometry to one Y(4), one P(11), one P(6), and one P(9) atom. The P(8)-P(11) bond length is 2.04 Å. The P(8)-P(9) bond length is 2.06 Å. In the ninth P site, P(9) is bonded in a 2-coordinate geometry to one Y(4), one P(3), one P(6), and one P(8) atom. In the tenth P site, P(10) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), and one V(2) atom. In the eleventh P site, P(11) is bonded in a 2-coordinate geometry to one Y(2), one P(1), one P(6), and one P(8) atom. In the twelfth P site, P(12) is bonded in a 3-coordinate geometry to one Y(1), one Y(4), and one V(4) atom.