data_[Li6Si2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8088]
_cell_length_b [8.0922]
_cell_length_c [7.5038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li3SiTe4]
_chemical_formula_sum '[Li6 Si2 Te8]'
_cell_volume [474.1699]
_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  4  0.2370  0.3313  0.0185  1.0
  Li  Li1  2  0.0000  0.1333  0.4907  1.0
  Si  Si2  2  0.0000  0.8180  0.9944  1.0
  Te  Te3  4  0.2475  0.3485  0.3857  1.0
  Te  Te4  2  0.0000  0.1074  0.8580  1.0
  Te  Te5  2  0.0000  0.8346  0.3331  1.0
]