data_[Bi4Sb4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [10.3444]
_cell_length_b [6.0695]
_cell_length_c [6.6496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiSbPd3]
_chemical_formula_sum '[Bi4 Sb4 Pd12]'
_cell_volume [400.1672]
_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
[
  Bi  Bi0  4  0.0604  0.5000  0.2781  1.0
  Sb  Sb1  4  0.1713  0.0000  0.0002  1.0
  Pd  Pd2  8  0.1854  0.2564  0.6733  1.0
  Pd  Pd3  4  0.0562  0.0000  0.3153  1.0
]