data_Y2Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mo2O7
_chemical_formula_sum   'Y4 Mo4 O14'
_cell_volume   270.9
_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  Y18  1  0.85  0.28  0.85  1.0
  Y  Y19  1  0.85  0.85  0.28  1.0
  Y  Y20  1  0.28  0.28  0.28  1.0
  Y  Y21  1  0.28  0.85  0.85  1.0
  Mo  Mo0  1  0.42  0.42  0.42  1.0
  Mo  Mo1  1  0.85  0.85  0.42  1.0
  Mo  Mo2  1  0.42  0.85  0.85  1.0
  Mo  Mo3  1  0.85  0.42  0.85  1.0
  O  O4  1  0.14  0.14  0.33  1.0
  O  O5  1  0.14  0.95  0.14  1.0
  O  O6  1  0.33  0.14  0.14  1.0
  O  O7  1  0.7  0.51  0.7  1.0
  O  O8  1  0.89  0.7  0.7  1.0
  O  O9  1  0.7  0.7  0.89  1.0
  O  O10  1  0.0  0.0  0.0  1.0
  O  O11  1  0.57  0.57  0.57  1.0
  O  O12  1  0.14  0.14  0.95  1.0
  O  O13  1  0.95  0.14  0.14  1.0
  O  O14  1  0.14  0.33  0.14  1.0
  O  O15  1  0.51  0.7  0.7  1.0
  O  O16  1  0.7  0.89  0.7  1.0
  O  O17  1  0.7  0.7  0.51  1.0

data_Y2Mo2O7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   17.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2Mo2O7
_chemical_formula_sum   'Y12 Mo12 O42'
_cell_volume   812.7
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.05  0.52  0.67  1.0
  Y  Y1  3  0.0  0.0  0.72  1.0
  Mo  Mo2  9  0.19  0.38  0.96  1.0
  Mo  Mo3  3  0.0  0.0  0.58  1.0
  O  O4  9  0.06  0.13  0.8  1.0
  O  O5  9  0.06  0.13  0.23  1.0
  O  O6  9  0.13  0.06  0.36  1.0
  O  O7  9  0.13  0.06  0.93  1.0
  O  O8  3  0.0  0.0  0.0  1.0
  O  O9  3  0.0  0.0  0.43  1.0

Y Y Y Y Mo Mo Mo Mo O O O O O O O O O O O O O O
Y Y Y Y Mo Mo Mo Mo O O O O O O O O O O O O O O 0 7 o o o 0 11 o o o 0 14 + o + 1 5 o o o 1 14 + + o 1 21 o o o 2 10 o o o 2 8 o o o 2 18 o o o 2 4 o o o 3 6 o o o 3 14 o + + 3 19 o o o 4 15 o o o 5 21 o o o 6 19 o o o 7 11 o o o 8 18 o o o 8 10 o o o 9 14 o + o 9 17 - + o 9 16 o + - 10 18 o o o 11 15 o o o 11 19 o o o 11 21 o o o 12 20 o o o 12 13 o o o 13 20 o o o 14 17 - o o 14 16 o o - 15 19 o o o 15 21 o o o 16 17 - o + 19 21 o o o 