data_[Li2Ge6Te8]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8418]
_cell_length_b [11.9176]
_cell_length_c [6.2321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiGe3Te4]
_chemical_formula_sum '[Li2 Ge6 Te8]'
_cell_volume [433.8742]
_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  0.0000  0.0000  0.1889  1.0
  Ge  Ge1  4  0.0000  0.2500  0.7183  1.0
  Ge  Ge2  2  0.0000  0.5000  0.2221  1.0
  Te  Te3  4  0.0000  0.2517  0.1612  1.0
  Te  Te4  2  0.0000  0.0000  0.6554  1.0
  Te  Te5  2  0.0000  0.5000  0.6594  1.0
]