data_[Cu6As2Pd12]
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 [P2_1/m]
_cell_length_a [7.3172]
_cell_length_b [4.4655]
_cell_length_c [9.4812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu3AsPd6]
_chemical_formula_sum '[Cu6 As2 Pd12]'
_cell_volume [291.0088]
_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  2  0.2351  0.2500  0.0228  1
  Cu  Cu1  2  0.3857  0.7500  0.7900  1
  Cu  Cu2  2  0.4640  0.2500  0.6267  1
  As  As3  2  0.0469  0.2500  0.3996  1
  Pd  Pd4  2  0.0777  0.7500  0.8764  1
  Pd  Pd5  2  0.1503  0.2500  0.7035  1
  Pd  Pd6  2  0.1541  0.7500  0.1760  1
  Pd  Pd7  2  0.2495  0.7500  0.4962  1
  Pd  Pd8  2  0.3423  0.2500  0.3281  1
  Pd  Pd9  2  0.4658  0.7500  0.0803  1
]