data_[Li4In4Ge4Se16]
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 [Cmcm]
_cell_length_a [7.6708]
_cell_length_b [12.0358]
_cell_length_c [7.9067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiInGeSe4]
_chemical_formula_sum '[Li4 In4 Ge4 Se16]'
_cell_volume [729.9724]
_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  4  0.0000  0.5000  0.0000  1.0
  In  In1  4  0.0000  0.1417  0.2500  1.0
  Ge  Ge2  4  0.0000  0.1432  0.7500  1.0
  Se  Se3  8  0.0000  0.2697  0.5183  1.0
  Se  Se4  8  0.2433  0.0145  0.7500  1.0
]