data_[Bi1Sb3Pd12]
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 [P4/mmm]
_cell_length_a [4.0833]
_cell_length_b [4.0833]
_cell_length_c [16.2838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Bi(SbPd4)3]
_chemical_formula_sum '[Bi1 Sb3 Pd12]'
_cell_volume [271.5023]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sb  Sb1  2  0.0000  0.0000  0.2526  1
  Sb  Sb2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0000  0.5000  0.1312  1
  Pd  Pd4  4  0.0000  0.5000  0.3765  1
  Pd  Pd5  2  0.5000  0.5000  0.2538  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pd  Pd7  1  0.5000  0.5000  0.5000  1
]