data_[As12Pd18Pb6]
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 [17.3985]
_cell_length_b [4.0769]
_cell_length_c [10.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2Pd3Pb]
_chemical_formula_sum '[As12 Pd18 Pb6]'
_cell_volume [685.4464]
_cell_formula_units_Z [6]
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  0.0415  0.5000  0.7716  1
  As  As1  4  0.1346  0.5000  0.4402  1
  As  As2  4  0.1974  0.0000  0.1266  1
  Pd  Pd3  4  0.0491  0.0000  0.3124  1
  Pd  Pd4  4  0.1226  0.5000  0.1843  1
  Pd  Pd5  4  0.1830  0.5000  0.9586  1
  Pd  Pd6  4  0.2256  0.0000  0.3851  1
  Pd  Pd7  2  0.0000  0.5000  0.5000  1
  Pb  Pb8  4  0.1516  0.0000  0.6909  1
  Pb  Pb9  2  0.0000  0.0000  0.0000  1
]