data_InTeBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   7.05
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTeBrO3
_chemical_formula_sum   'In4 Te4 Br4 O12'
_cell_volume   440.93
_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
  In  In0  1  0.42  0.77  0.11  1.0
  In  In1  1  0.56  0.29  0.44  1.0
  In  In2  1  0.73  0.28  0.0  1.0
  In  In3  1  0.6  0.76  0.67  1.0
  Te  Te4  1  0.19  0.47  0.93  1.0
  Te  Te5  1  0.14  0.95  0.74  1.0
  Te  Te6  1  0.96  0.57  0.18  1.0
  Te  Te7  1  0.01  0.1  0.38  1.0
  Br  Br8  1  0.99  0.08  0.36  1.0
  Br  Br9  1  0.34  0.6  0.31  1.0
  Br  Br10  1  0.16  0.97  0.76  1.0
  Br  Br11  1  0.81  0.45  0.8  1.0
  O  O12  1  0.33  0.06  0.5  1.0
  O  O13  1  0.64  0.54  0.06  1.0
  O  O14  1  0.82  0.99  0.62  1.0
  O  O15  1  0.51  0.51  0.05  1.0
  O  O16  1  0.7  0.66  0.35  1.0
  O  O17  1  0.63  0.14  0.32  1.0
  O  O18  1  0.45  0.39  0.76  1.0
  O  O19  1  0.52  0.91  0.8  1.0
  O  O20  1  0.41  0.67  0.46  1.0
  O  O21  1  0.57  0.15  0.1  1.0
  O  O22  1  0.75  0.38  0.66  1.0
  O  O23  1  0.58  0.9  0.01  1.0

data_InTeBrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.05
_cell_length_b   7.3
_cell_length_c   8.8
_cell_angle_alpha   103.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InTeBrO3
_chemical_formula_sum   'In4 Te4 Br4 O12'
_cell_volume   440.93
_cell_formula_units_Z   4
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  0.26  0.94  0.66  1.0
  In  In1  2  0.27  0.39  0.48  1.0
  Te  Te2  2  0.07  0.32  0.94  1.0
  Te  Te3  2  0.45  0.88  0.11  1.0
  Br  Br4  2  0.05  0.3  0.91  1.0
  Br  Br5  2  0.42  0.74  0.73  1.0
  O  O6  2  0.04  0.44  0.26  1.0
  O  O7  2  0.11  0.26  0.55  1.0
  O  O8  2  0.12  0.04  0.49  1.0
  O  O9  2  0.35  0.6  0.67  1.0
  O  O10  2  0.36  0.7  0.37  1.0
  O  O11  2  0.49  1.0  0.43  1.0

In In In In Te Te Te Te Br Br Br Br O O O O O O O O O O O O