data_CrInBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   155.2
_cell_angle_beta   155.2
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInBr
_chemical_formula_sum   'Cr1 In1 Br1'
_cell_volume   62.48
_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
  Cr  Cr1  1  0.0  0.0  0.73  1.0
  In  In2  1  0.0  0.0  0.07  1.0
  Br  Br0  1  0.0  0.0  0.69  1.0

data_CrInBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrInBr
_chemical_formula_sum   'Cr2 In2 Br2'
_cell_volume   124.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  In  In1  2  0.0  0.0  0.93  1.0
  Br  Br2  2  0.0  0.0  0.31  1.0

Cr In Br