data_[As16Pd20Pb4]
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 [Cc]
_cell_length_a [11.9146]
_cell_length_b [7.0842]
_cell_length_c [9.3825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [As4Pd5Pb]
_chemical_formula_sum '[As16 Pd20 Pb4]'
_cell_volume [750.7543]
_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
[
  As  As0  4  0.1244  0.3270  0.4254  1.0
  As  As1  4  0.3014  0.3305  0.8518  1.0
  As  As2  4  0.3805  0.1274  0.5678  1.0
  As  As3  4  0.4806  0.3343  0.2754  1.0
  Pd  Pd4  4  0.0131  0.0787  0.5176  1.0
  Pd  Pd5  4  0.0833  0.4397  0.6673  1.0
  Pd  Pd6  4  0.1884  0.0279  0.8717  1.0
  Pd  Pd7  4  0.3146  0.4668  0.5986  1.0
  Pd  Pd8  4  0.4234  0.0086  0.8417  1.0
  Pb  Pb9  4  0.1929  0.2041  0.1378  1.0
]