data_[Li4Cr4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.5118]
_cell_length_b [16.7338]
_cell_length_c [6.5474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCrBr4]
_chemical_formula_sum '[Li4 Cr4 Br16]'
_cell_volume [696.9645]
_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
[
  Li  Li0  4  0.0000  0.4236  0.2500  1.0
  Cr  Cr1  4  0.0000  0.0612  0.7500  1.0
  Br  Br2  8  0.2244  0.0489  0.2105  1.0
  Br  Br3  8  0.2316  0.1641  0.7520  1.0
]