data_In2CuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   140.26
_cell_angle_beta   117.82
_cell_angle_gamma   76.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuBr
_chemical_formula_sum   'In2 Cu1 Br1'
_cell_volume   101.48
_cell_formula_units_Z   1
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  In2  1  0.0  0.94  0.57  1.0
  In  In3  1  0.93  0.0  0.9  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.47  1.0

data_In2CuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   62.18
_cell_angle_beta   70.13
_cell_angle_gamma   70.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuBr
_chemical_formula_sum   'In2 Cu1 Br1'
_cell_volume   101.48
_cell_formula_units_Z   1
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  0.57  -0.0  0.36  1.0
  In  In1  1  0.96  0.93  0.1  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.47  0.0  0.53  1.0

In In Cu Br
In In Cu Br 0 3 o + o 1 2 + o + 