data_[Li4In4Si4Se16]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6339]
_cell_length_b [11.9282]
_cell_length_c [7.8065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiInSiSe4]
_chemical_formula_sum '[Li4 In4 Si4 Se16]'
_cell_volume [710.8454]
_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  0.1406  0.2500  1.0
  Si  Si2  4  0.0000  0.1419  0.7500  1.0
  Se  Se3  8  0.0000  0.2661  0.5262  1.0
  Se  Se4  8  0.2387  0.0204  0.7500  1.0
]