data_[Na2Cr2In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.3166]
_cell_length_b [7.9159]
_cell_length_c [12.8262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCr(InBr3)2]
_chemical_formula_sum '[Na2 Cr2 In4 Br12]'
_cell_volume [618.5297]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.2802  0.0800  0.2526  1.0
  Br  Br3  4  0.1399  0.0227  0.7301  1.0
  Br  Br4  4  0.2183  0.7281  0.5455  1.0
  Br  Br5  4  0.3234  0.1731  0.5367  1.0
]