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 [C2/c]
_cell_length_a [12.0775]
_cell_length_b [6.7435]
_cell_length_c [9.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [As4Pd5Pb]
_chemical_formula_sum '[As16 Pd20 Pb4]'
_cell_volume [754.0145]
_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  8  0.0885  0.1715  0.9595  1
  As  As1  8  0.2117  0.3511  0.6422  1
  Pd  Pd2  8  0.1096  0.0594  0.7164  1
  Pd  Pd3  8  0.2082  0.4627  0.9023  1
  Pd  Pd4  4  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.0000  0.3093  0.2500  1
]