data_[Li6Te6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1023]
_cell_length_b [13.3649]
_cell_length_c [7.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiTe]
_chemical_formula_sum '[Li6 Te6]'
_cell_volume [311.8695]
_cell_formula_units_Z [6]
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  0.1524  0.1274  1.0
  Li  Li1  2  0.0000  0.0000  0.6534  1.0
  Te  Te2  4  0.0000  0.3355  0.3062  1.0
  Te  Te3  2  0.0000  0.5000  0.8129  1.0
]