data_[Ba2Sn4Pd3Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8317]
_cell_length_b [4.8317]
_cell_length_c [11.4709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Sn4Pd3Pb]
_chemical_formula_sum '[Ba2 Sn4 Pd3 Pb1]'
_cell_volume [267.7908]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7560  1
  Sn  Sn1  2  0.0000  0.5000  0.3505  1
  Sn  Sn2  1  0.0000  0.0000  0.0000  1
  Sn  Sn3  1  0.5000  0.5000  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.1161  1
  Pd  Pd5  1  0.0000  0.0000  0.5000  1
  Pb  Pb6  1  0.5000  0.5000  0.5000  1
]