data_ZnInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   3.96
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInBr2
_chemical_formula_sum   'Zn1 In1 Br2'
_cell_volume   111.69
_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
  Zn  Zn3  1  0.15  0.0  0.01  1.0
  In  In2  1  0.95  0.98  0.6  1.0
  Br  Br0  1  0.91  0.98  0.41  1.0
  Br  Br1  1  0.92  0.0  0.82  1.0

data_ZnInBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.39
_cell_length_c   5.74
_cell_angle_alpha   114.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInBr2
_chemical_formula_sum   'Zn1 In1 Br2'
_cell_volume   111.69
_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
  Zn  Zn0  1  0.0  0.85  0.99  1.0
  In  In1  1  0.02  0.05  0.4  1.0
  Br  Br2  1  0.0  0.08  0.18  1.0
  Br  Br3  1  0.02  0.09  0.59  1.0

Zn In Br Br