data_[As2Pd12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0012]
_cell_length_b [7.3361]
_cell_length_c [12.0818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [As(Pd3Pb)2]
_chemical_formula_sum '[As2 Pd12 Pb4]'
_cell_volume [354.6419]
_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
[
  As  As0  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  8  0.0000  0.2214  0.1649  1.0
  Pd  Pd2  4  0.0000  0.3006  0.5000  1.0
  Pb  Pb3  4  0.0000  0.0000  0.3533  1.0
]