data_[Li8In4Ge4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.1497]
_cell_length_b [8.8743]
_cell_length_c [11.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Li2InGeSe4]
_chemical_formula_sum '[Li8 In4 Ge4 Se16]'
_cell_volume [840.2027]
_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  0.2457  1.0
  In  In1  4  0.0000  0.0000  0.9944  1.0
  Ge  Ge2  4  0.0000  0.0000  0.4936  1.0
  Se  Se3  8  0.0000  0.2436  0.3785  1.0
  Se  Se4  8  0.2360  0.0000  0.6317  1.0
]