data_[Li4Si8As4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9898]
_cell_length_b [11.3022]
_cell_length_c [7.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSi2AsSe6]
_chemical_formula_sum '[Li4 Si8 As4 Se24]'
_cell_volume [980.4804]
_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  0.1200  0.2500  1.0
  Si  Si1  8  0.2069  0.4067  0.2119  1.0
  As  As2  4  0.0000  0.2419  0.7500  1.0
  Se  Se3  8  0.1047  0.0850  0.6416  1.0
  Se  Se4  8  0.1330  0.4478  0.4714  1.0
  Se  Se5  8  0.1459  0.2212  0.1252  1.0
]