data_[Li6Ge2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.2594]
_cell_length_b [7.5556]
_cell_length_c [6.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li3GeSe4]
_chemical_formula_sum '[Li6 Ge2 Se8]'
_cell_volume [381.2060]
_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  0.2410  0.3357  0.0157  1.0
  Li  Li1  2  0.0000  0.1353  0.4932  1.0
  Ge  Ge2  2  0.0000  0.8196  0.9948  1.0
  Se  Se3  4  0.2451  0.3480  0.3828  1.0
  Se  Se4  2  0.0000  0.1132  0.8604  1.0
  Se  Se5  2  0.0000  0.8371  0.3394  1.0
]