data_MoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.51
_cell_length_c   7.15
_cell_angle_alpha   87.89
_cell_angle_beta   65.58
_cell_angle_gamma   84.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2O7
_chemical_formula_sum   'Mo2 P4 O14'
_cell_volume   273.55
_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
  Mo  Mo0  1  0.76  0.26  0.37  1.0
  Mo  Mo1  1  0.35  0.18  0.14  1.0
  P  P2  1  0.28  0.59  0.64  1.0
  P  P3  1  0.5  0.48  0.31  1.0
  P  P4  1  0.61  0.96  0.21  1.0
  P  P5  1  0.82  0.85  0.87  1.0
  O  O6  1  0.59  0.27  0.33  1.0
  O  O7  1  0.35  0.78  0.11  1.0
  O  O8  1  0.51  0.17  0.19  1.0
  O  O9  1  0.28  0.25  0.41  1.0
  O  O10  1  0.75  0.66  0.4  1.0
  O  O11  1  0.21  0.11  0.67  1.0
  O  O12  1  0.46  0.17  0.02  1.0
  O  O13  1  0.36  0.97  0.11  1.0
  O  O14  1  0.74  0.47  0.4  1.0
  O  O15  1  0.89  0.88  0.27  1.0
  O  O16  1  0.83  0.19  0.1  1.0
  O  O17  1  0.21  0.56  0.24  1.0
  O  O18  1  0.64  0.27  0.49  1.0
  O  O19  1  0.9  0.33  0.84  1.0

data_MoP2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.49
_cell_length_b   6.51
_cell_length_c   7.15
_cell_angle_alpha   87.89
_cell_angle_beta   65.58
_cell_angle_gamma   84.19
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoP2O7
_chemical_formula_sum   'Mo2 P4 O14'
_cell_volume   273.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mo  Mo0  2  0.29  0.96  0.88  1.0
  P  P1  2  0.23  0.37  0.39  1.0
  P  P2  2  0.45  0.26  0.05  1.0
  O  O3  2  0.16  0.89  0.41  1.0
  O  O4  2  0.16  0.34  0.99  1.0
  O  O5  2  0.23  0.03  0.15  1.0
  O  O6  2  0.3  0.56  0.86  1.0
  O  O7  2  0.31  0.75  0.85  1.0
  O  O8  2  0.41  0.95  0.76  1.0
  O  O9  2  0.46  0.95  0.93  1.0

Mo Mo P P P P O O O O O O O O O O O O O O