data_[Cr2In4Br16]
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 [C2/m]
_cell_length_a [12.8221]
_cell_length_b [10.2832]
_cell_length_c [6.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr(InBr4)2]
_chemical_formula_sum '[Cr2 In4 Br16]'
_cell_volume [908.2564]
_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  1.0
  In  In1  4  0.2107  0.0000  0.6630  1.0
  Br  Br2  8  0.0940  0.1776  0.8184  1.0
  Br  Br3  4  0.1050  0.5000  0.2114  1.0
  Br  Br4  4  0.1883  0.0000  0.2975  1.0
]