data_[Li2Te2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8639]
_cell_length_b [4.4614]
_cell_length_c [15.1729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTeBr4]
_chemical_formula_sum '[Li2 Te2 Br8]'
_cell_volume [418.8363]
_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
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.0626  0.0852  0.3849  1.0
  Br  Br3  4  0.4374  0.5295  0.6088  1.0
]