data_[Sn4Bi12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4030]
_cell_length_b [13.0347]
_cell_length_c [7.0946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(BiPd)3]
_chemical_formula_sum '[Sn4 Bi12 Pd12]'
_cell_volume [673.8790]
_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  4  0.2039  0.5000  0.9730  1
  Bi  Bi1  4  0.0000  0.1915  0.5000  1
  Bi  Bi2  4  0.0000  0.2437  0.0000  1
  Bi  Bi3  4  0.1888  0.5000  0.4225  1
  Pd  Pd4  8  0.2014  0.3442  0.7300  1
  Pd  Pd5  4  0.0130  0.0000  0.2396  1
]