data_[La20Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6499]
_cell_length_b [6.3487]
_cell_length_c [9.2057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Bi2]
_chemical_formula_sum '[La20 Bi8]'
_cell_volume [969.9435]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.1144  0.1780  0.9471  1
  La  La1  8  0.2245  0.4014  0.3123  1
  La  La2  4  0.0000  0.2834  0.2500  1
  Bi  Bi3  8  0.0926  0.3069  0.5884  1
]