data_[Li2W2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9985]
_cell_length_b [12.2634]
_cell_length_c [6.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiWBr6]
_chemical_formula_sum '[Li2 W2 Br12]'
_cell_volume [539.0957]
_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  0.0000  0.0000  0.0000  1
  W  W1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2413  0.3538  0.7425  1
  Br  Br3  4  0.2088  0.5000  0.2919  1
]