data_[Li2Pt2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6258]
_cell_length_b [3.9432]
_cell_length_c [13.2068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPtBr4]
_chemical_formula_sum '[Li2 Pt2 Br8]'
_cell_volume [338.9405]
_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
[
  Li  Li0  2  0.5000  0.0000  0.5000  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.1122  0.0558  0.3868  1.0
  Br  Br3  4  0.3508  0.5013  0.6103  1.0
]