data_[Li4Sb20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6390]
_cell_length_b [8.5818]
_cell_length_c [9.0427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSb5Pd3]
_chemical_formula_sum '[Li4 Sb20 Pd12]'
_cell_volume [897.6481]
_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  0.1125  0.0000  0.3058  1
  Sb  Sb1  8  0.1789  0.2048  0.5963  1
  Sb  Sb2  4  0.0000  0.3051  0.0000  1
  Sb  Sb3  4  0.0445  0.5000  0.3251  1
  Sb  Sb4  4  0.2141  0.0000  0.0327  1
  Pd  Pd5  4  0.1603  0.5000  0.6586  1
  Pd  Pd6  4  0.1875  0.5000  0.1709  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Pd  Pd8  2  0.0000  0.0000  0.5000  1
]