data_[Li2Ge1Te1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4924]
_cell_length_b [5.5653]
_cell_length_c [6.3564]
_cell_angle_alpha [102.7061]
_cell_angle_beta [103.3621]
_cell_angle_gamma [91.6845]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2GeTeS4]
_chemical_formula_sum '[Li2 Ge1 Te1 S4]'
_cell_volume [183.7490]
_cell_formula_units_Z [1]
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  1  0.0349  0.5495  0.0156  1.0
  Li  Li1  1  0.6123  0.7541  0.5445  1.0
  Ge  Ge2  1  0.5455  0.0518  0.0396  1.0
  Te  Te3  1  0.2421  0.0936  0.5042  1.0
  S  S4  1  0.2664  0.7623  0.8082  1.0
  S  S5  1  0.3760  0.3520  0.2599  1.0
  S  S6  1  0.7158  0.2007  0.8049  1.0
  S  S7  1  0.8199  0.8490  0.2490  1.0
]