data_[Bi4Sb4Pd6]
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 [13.7075]
_cell_length_b [4.3819]
_cell_length_c [5.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2Sb2Pd3]
_chemical_formula_sum '[Bi4 Sb4 Pd6]'
_cell_volume [328.7902]
_cell_formula_units_Z [2]
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  0.0708  0.5000  0.7574  1.0
  Sb  Sb1  4  0.1747  0.0000  0.3052  1.0
  Pd  Pd2  4  0.2169  0.0000  0.8196  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]