data_[Na4Cr4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2802]
_cell_length_b [16.7406]
_cell_length_c [6.6154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCrBr4]
_chemical_formula_sum '[Na4 Cr4 Br16]'
_cell_volume [774.2525]
_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
[
  Na  Na0  4  0.0000  0.4156  0.2500  1.0
  Cr  Cr1  4  0.0000  0.0623  0.7500  1.0
  Br  Br2  8  0.2039  0.0484  0.2068  1.0
  Br  Br3  8  0.2074  0.1665  0.7538  1.0
]