data_[Li4Sn6Ge2Se12]
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 [C2/m]
_cell_length_a [17.6415]
_cell_length_b [4.0244]
_cell_length_c [8.1570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sn3GeSe6]
_chemical_formula_sum '[Li4 Sn6 Ge2 Se12]'
_cell_volume [563.9295]
_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  0.1698  0.0000  0.3343  1.0
  Sn  Sn1  4  0.1686  0.0000  0.8292  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0041  0.0000  0.2411  1.0
  Se  Se5  4  0.1626  0.5000  0.0918  1.0
  Se  Se6  4  0.1712  0.5000  0.5804  1.0
]