data_[Li24Bi18]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.3453]
_cell_length_b [13.3453]
_cell_length_c [6.1799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li4Bi3]
_chemical_formula_sum '[Li24 Bi18]'
_cell_volume [953.1721]
_cell_formula_units_Z [6]
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  18  0.0528  0.7996  0.1831  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Li  Li2  3  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  18  0.0511  0.8227  0.6859  1.0
]