data_[Li10Sn4Bi10]
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 [12.6742]
_cell_length_b [4.8655]
_cell_length_c [11.7034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Sn2Bi5]
_chemical_formula_sum '[Li10 Sn4 Bi10]'
_cell_volume [685.7160]
_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  0.1417  0.5000  0.9945  1.0
  Li  Li1  4  0.1996  0.5000  0.3761  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.1157  0.0000  0.8000  1.0
  Bi  Bi4  4  0.0827  0.0000  0.4194  1.0
  Bi  Bi5  4  0.2419  0.0000  0.2140  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]