data_[Sn12Sb4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [10.9571]
_cell_length_b [8.8286]
_cell_length_c [6.6519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3SbPd]
_chemical_formula_sum '[Sn12 Sb4 Pd4]'
_cell_volume [517.8101]
_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
[
  Sn  Sn0  8  0.2450  0.1969  0.2647  1
  Sn  Sn1  4  0.0478  0.5000  0.8144  1
  Sb  Sb2  4  0.0479  0.0000  0.7829  1
  Pd  Pd3  4  0.2484  0.0000  0.6324  1
]