data_[Cr4In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.2959]
_cell_length_b [15.1551]
_cell_length_c [9.5324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrInBr3]
_chemical_formula_sum '[Cr4 In4 Br12]'
_cell_volume [617.0451]
_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
[
  Cr  Cr0  4  0.2313  0.0485  0.6598  1.0
  In  In1  4  0.2429  0.6650  0.4650  1.0
  Br  Br2  4  0.1999  0.5993  0.0293  1.0
  Br  Br3  4  0.2522  0.1982  0.7740  1.0
  Br  Br4  4  0.3075  0.0075  0.1741  1.0
]