data_[Li3Ge9Sb3Te15]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2830]
_cell_length_b [4.2830]
_cell_length_c [53.0338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiGe3SbTe5]
_chemical_formula_sum '[Li3 Ge9 Sb3 Te15]'
_cell_volume [842.5219]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1048  1.0
  Ge  Ge1  3  0.0000  0.0000  0.2984  1.0
  Ge  Ge2  3  0.0000  0.0000  0.4982  1.0
  Ge  Ge3  3  0.0000  0.0000  0.8988  1.0
  Sb  Sb4  3  0.0000  0.0000  0.7017  1.0
  Te  Te5  3  0.0000  0.0000  0.0001  1.0
  Te  Te6  3  0.0000  0.0000  0.2034  1.0
  Te  Te7  3  0.0000  0.0000  0.4032  1.0
  Te  Te8  3  0.0000  0.0000  0.6028  1.0
  Te  Te9  3  0.0000  0.0000  0.8025  1.0
]