data_[Li16Sn2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1819]
_cell_length_b [4.7481]
_cell_length_c [7.7268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8SnBi2]
_chemical_formula_sum '[Li16 Sn2 Bi4]'
_cell_volume [438.8079]
_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  0.0091  0.0000  0.2874  1.0
  Li  Li1  4  0.1430  0.5000  0.8471  1.0
  Li  Li2  4  0.1501  0.0000  0.1242  1.0
  Li  Li3  4  0.1577  0.5000  0.4503  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1973  0.0000  0.7061  1.0
]