data_[Li4Si2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [17.5401]
_cell_length_b [12.9678]
_cell_length_c [6.9435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Li2SiSe3]
_chemical_formula_sum '[Li4 Si2 Se6]'
_cell_volume [1579.3581]
_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  0.0724  0.0208  0.6279  1
  Si  Si1  2  0.0000  0.0000  0.2549  1
  Se  Se2  4  0.0214  0.6381  0.9316  1
  Se  Se3  2  0.0000  0.0000  0.9413  1
]