data_[Li16Si2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5553]
_cell_length_b [6.9003]
_cell_length_c [13.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li8SiBi2]
_chemical_formula_sum '[Li16 Si2 Bi4]'
_cell_volume [415.0459]
_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  0.2343  0.3568  1
  Li  Li1  4  0.0000  0.0000  0.1672  1
  Li  Li2  4  0.0000  0.2475  0.0000  1
  Si  Si3  2  0.0000  0.5000  0.5000  1
  Bi  Bi4  4  0.0000  0.5000  0.1809  1
]