data_[Li2Sb2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1828]
_cell_length_b [4.2878]
_cell_length_c [4.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSbTe2]
_chemical_formula_sum '[Li2 Sb2 Te4]'
_cell_volume [261.6119]
_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  0.0354  0.5000  0.6184  1.0
  Sb  Sb1  2  0.2058  0.0000  0.1369  1.0
  Te  Te2  2  0.0108  0.0000  0.1140  1.0
  Te  Te3  2  0.2480  0.5000  0.6307  1.0
]