data_[As1Pd5Pb2]
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 [P1]
_cell_length_a [4.8464]
_cell_length_b [5.7932]
_cell_length_c [5.9157]
_cell_angle_alpha [72.3048]
_cell_angle_beta [88.1206]
_cell_angle_gamma [73.5716]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AsPd5Pb2]
_chemical_formula_sum '[As1 Pd5 Pb2]'
_cell_volume [151.5147]
_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  1  0.1471  0.9050  0.9966  1.0
  Pd  Pd1  1  0.1536  0.7900  0.4388  1.0
  Pd  Pd2  1  0.2705  0.3223  0.8408  1.0
  Pd  Pd3  1  0.6674  0.8067  0.1342  1.0
  Pd  Pd4  1  0.7851  0.2733  0.1266  1.0
  Pd  Pd5  1  0.8081  0.1521  0.6488  1.0
  Pb  Pb6  1  0.2656  0.3059  0.3518  1.0
  Pb  Pb7  1  0.6796  0.6675  0.6854  1.0
]