data_In2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   6.45
_cell_length_c   6.94
_cell_angle_alpha   107.81
_cell_angle_beta   109.28
_cell_angle_gamma   95.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PO5
_chemical_formula_sum   'In4 P2 O10'
_cell_volume   208.96
_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
  In  In0  1  0.51  0.03  0.07  1.0
  In  In1  1  0.9  0.04  0.04  1.0
  In  In2  1  0.87  0.42  0.66  1.0
  In  In3  1  0.54  0.64  0.45  1.0
  P  P4  1  0.86  0.23  0.42  1.0
  P  P5  1  0.54  0.84  0.69  1.0
  O  O6  1  0.61  0.81  0.72  1.0
  O  O7  1  0.8  0.25  0.39  1.0
  O  O8  1  0.74  0.68  0.67  1.0
  O  O9  1  0.66  0.38  0.44  1.0
  O  O10  1  0.67  0.4  0.77  1.0
  O  O11  1  0.73  0.66  0.34  1.0
  O  O12  1  0.2  0.49  0.38  1.0
  O  O13  1  0.2  0.58  0.73  1.0
  O  O14  1  0.76  0.02  0.9  1.0
  O  O15  1  0.64  0.04  0.21  1.0

data_In2PO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.33
_cell_length_b   6.45
_cell_length_c   6.94
_cell_angle_alpha   107.81
_cell_angle_beta   109.28
_cell_angle_gamma   95.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In2PO5
_chemical_formula_sum   'In4 P2 O10'
_cell_volume   208.96
_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
  In  In0  2  0.3  0.99  0.02  1.0
  In  In1  2  0.33  0.61  0.4  1.0
  P  P2  2  0.34  0.8  0.64  1.0
  O  O3  2  0.0  0.54  0.68  1.0
  O  O4  2  0.4  0.78  0.66  1.0
  O  O5  2  0.44  0.01  0.16  1.0
  O  O6  2  0.46  0.35  0.39  1.0
  O  O7  2  0.47  0.37  0.71  1.0

In In In In P P O O O O O O O O O O