data_[Li16Ge4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7653]
_cell_length_b [4.5214]
_cell_length_c [7.2824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Ge2Bi]
_chemical_formula_sum '[Li16 Ge4 Bi2]'
_cell_volume [385.1146]
_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  0.0231  0.0000  0.3263  1
  Li  Li1  4  0.1398  0.5000  0.8272  1
  Li  Li2  4  0.1589  0.0000  0.0926  1
  Li  Li3  4  0.1794  0.5000  0.4747  1
  Ge  Ge4  4  0.2045  0.0000  0.7271  1
  Bi  Bi5  2  0.0000  0.5000  0.0000  1
]