data_[Cu10As4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [12.1759]
_cell_length_b [8.3659]
_cell_length_c [5.6246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu5(AsPd6)2]
_chemical_formula_sum '[Cu10 As4 Pd24]'
_cell_volume [571.9703]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  4  0.1824  0.5000  0.8949  1.0
  Cu  Cu1  4  0.2351  0.0000  0.5167  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  As  As3  4  0.0000  0.2465  0.0000  1.0
  Pd  Pd4  8  0.1014  0.2672  0.6220  1.0
  Pd  Pd5  8  0.1893  0.2519  0.1989  1.0
  Pd  Pd6  4  0.0448  0.5000  0.2582  1.0
  Pd  Pd7  4  0.1149  0.0000  0.9118  1.0
]