data_[Li4Te4Pb8Se16]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6988]
_cell_length_b [11.7186]
_cell_length_c [8.4675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTe(PbSe2)2]
_chemical_formula_sum '[Li4 Te4 Pb8 Se16]'
_cell_volume [869.8579]
_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  0.0000  1.0
  Te  Te1  4  0.2500  0.2500  0.5000  1.0
  Pb  Pb2  4  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.2500  0.2500  0.0000  1.0
  Se  Se4  8  0.0214  0.2373  0.5200  1.0
  Se  Se5  8  0.2401  0.0088  0.5076  1.0
]