data_[As7Pd12Pb2]
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 [P-3]
_cell_length_a [10.3619]
_cell_length_b [10.3619]
_cell_length_c [4.0267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [As7(Pd6Pb)2]
_chemical_formula_sum '[As7 Pd12 Pb2]'
_cell_volume [374.4169]
_cell_formula_units_Z [1]
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  6  0.1067  0.4024  0.7473  1
  As  As1  1  0.0000  0.0000  0.5000  1
  Pd  Pd2  6  0.0687  0.6270  0.7494  1
  Pd  Pd3  6  0.1165  0.8644  0.2372  1
  Pb  Pb4  2  0.3333  0.6667  0.2513  1
]