data_[As4Pt12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.6387]
_cell_length_b [7.3769]
_cell_length_c [5.5254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AsPt3Pb2]
_chemical_formula_sum '[As4 Pt12 Pb8]'
_cell_volume [515.1597]
_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  0.0000  0.3336  0.2483  1.0
  Pt  Pt1  8  0.1408  0.4894  0.5171  1.0
  Pt  Pt2  4  0.0000  0.0463  0.4818  1.0
  Pb  Pb3  8  0.1729  0.1591  0.7879  1.0
]