data_[Li4Sn2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6835]
_cell_length_b [9.7075]
_cell_length_c [6.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2SnGeSe4]
_chemical_formula_sum '[Li4 Sn2 Ge2 Se8]'
_cell_volume [408.4212]
_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  0.0027  0.2460  0.5082  1.0
  Sn  Sn1  2  0.0622  0.0000  0.0538  1.0
  Ge  Ge2  2  0.4886  0.0000  0.9803  1.0
  Se  Se3  4  0.1591  0.2980  0.0150  1.0
  Se  Se4  2  0.1418  0.0000  0.5626  1.0
  Se  Se5  2  0.4839  0.0000  0.3568  1.0
]