data_[Li4Te4Br4]
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 [C2/m]
_cell_length_a [6.0803]
_cell_length_b [5.9627]
_cell_length_c [11.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTeBr]
_chemical_formula_sum '[Li4 Te4 Br4]'
_cell_volume [407.2006]
_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  0.2505  0.5000  1.0
  Te  Te1  4  0.2248  0.0000  0.0368  1.0
  Br  Br2  4  0.2345  0.5000  0.3819  1.0
]