data_[Li8Si4Ge4Te16]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.2836]
_cell_length_b [9.9368]
_cell_length_c [11.9347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Li2SiGeTe4]
_chemical_formula_sum '[Li8 Si4 Ge4 Te16]'
_cell_volume [982.3697]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2593  1.0
  Si  Si1  4  0.0000  0.0000  0.5025  1.0
  Ge  Ge2  4  0.0000  0.0000  0.0244  1.0
  Te  Te3  8  0.0000  0.2185  0.6097  1.0
  Te  Te4  8  0.2449  0.0000  0.3676  1.0
]