data_[As8Pd12Pb4]
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/m]
_cell_length_a [16.3497]
_cell_length_b [4.1415]
_cell_length_c [7.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2Pd3Pb]
_chemical_formula_sum '[As8 Pd12 Pb4]'
_cell_volume [474.0537]
_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  0.0105  0.5000  0.1714  1.0
  As  As1  4  0.1828  0.0000  0.6468  1.0
  Pd  Pd2  4  0.0363  0.0000  0.3612  1.0
  Pd  Pd3  4  0.1049  0.5000  0.6943  1.0
  Pd  Pd4  4  0.1750  0.5000  0.3986  1.0
  Pb  Pb5  4  0.1701  0.0000  0.0811  1.0
]