data_[Li4Te4Br16]
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 [Cccm]
_cell_length_a [8.1829]
_cell_length_b [11.4437]
_cell_length_c [8.0677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [LiTeBr4]
_chemical_formula_sum '[Li4 Te4 Br16]'
_cell_volume [755.4778]
_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  0.0000  0.2500  1
  Te  Te1  4  0.2500  0.2500  0.5000  1
  Br  Br2  8  0.0000  0.2481  0.2500  1
  Br  Br3  8  0.2327  0.0121  0.5000  1
]