data_[Li10Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2688]
_cell_length_b [3.6982]
_cell_length_c [9.0695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5BrCl4]
_chemical_formula_sum '[Li10 Br2 Cl8]'
_cell_volume [358.3488]
_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  4  0.1047  0.5000  0.8920  1
  Li  Li1  4  0.2042  0.0000  0.3089  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  Br  Br3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.1013  0.5000  0.4046  1
  Cl  Cl5  4  0.1980  0.0000  0.7967  1
]