data_[Li12Bi4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3444]
_cell_length_b [4.5803]
_cell_length_c [6.9412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3BiPd2]
_chemical_formula_sum '[Li12 Bi4 Pd8]'
_cell_volume [424.2145]
_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
[
  Li  Li0  4  0.0700  0.0000  0.8687  1
  Li  Li1  4  0.1068  0.5000  0.5839  1
  Li  Li2  4  0.1919  0.5000  0.9456  1
  Bi  Bi3  4  0.1387  0.0000  0.3149  1
  Pd  Pd4  4  0.0465  0.5000  0.1738  1
  Pd  Pd5  4  0.2371  0.0000  0.6741  1
]