data_[As4Pd40]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6673]
_cell_length_b [3.8767]
_cell_length_c [29.8496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsPd10]
_chemical_formula_sum '[As4 Pd40]'
_cell_volume [1002.8907]
_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  0.1539  0.0000  0.1954  1
  Pd  Pd1  4  0.0448  0.0000  0.6973  1
  Pd  Pd2  4  0.0496  0.0000  0.3940  1
  Pd  Pd3  4  0.0507  0.5000  0.5450  1
  Pd  Pd4  4  0.0531  0.5000  0.2397  1
  Pd  Pd5  4  0.1479  0.0000  0.7932  1
  Pd  Pd6  4  0.1482  0.5000  0.6356  1
  Pd  Pd7  4  0.1498  0.0000  0.4848  1
  Pd  Pd8  4  0.1543  0.5000  0.3335  1
  Pd  Pd9  4  0.2429  0.5000  0.7269  1
  Pd  Pd10  4  0.2489  0.5000  0.4246  1
]