data_Cr2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.32
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InBr
_chemical_formula_sum   'Cr2 In1 Br1'
_cell_volume   86.59
_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
  Cr  Cr1  1  0.38  0.66  0.13  1.0
  Cr  Cr2  1  0.95  0.66  0.4  1.0
  In  In3  1  0.67  0.0  0.77  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cr2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.46
_cell_length_c   7.53
_cell_angle_alpha   91.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InBr
_chemical_formula_sum   'Cr2 In1 Br1'
_cell_volume   86.59
_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
  Cr  Cr0  1  0.34  0.05  0.6  1.0
  Cr  Cr1  1  0.34  0.62  0.87  1.0
  In  In2  1  0.0  0.33  0.23  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cr Cr In Br