data_[Cr2In6Br12]
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 [7.2516]
_cell_length_b [8.3784]
_cell_length_c [12.6647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cr(InBr2)3]
_chemical_formula_sum '[Cr2 In6 Br12]'
_cell_volume [659.5698]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.3017  0.0775  0.7634  1
  In  In2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.1075  0.0548  0.2214  1
  Br  Br4  4  0.2220  0.7437  0.0668  1
  Br  Br5  4  0.3233  0.1576  0.0304  1
]