data_[Li10Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1393]
_cell_length_b [7.6057]
_cell_length_c [14.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5BiSe4]
_chemical_formula_sum '[Li10 Bi2 Se8]'
_cell_volume [442.1193]
_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  8  0.0000  0.2052  0.1793  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.5000  0.5000  1.0
  Se  Se3  4  0.0000  0.2748  0.0000  1.0
  Se  Se4  4  0.0000  0.5000  0.2850  1.0
]