data_[Cu2As4Pd12]
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/c]
_cell_length_a [5.3835]
_cell_length_b [6.8954]
_cell_length_c [8.5738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(AsPd3)2]
_chemical_formula_sum '[Cu2 As4 Pd12]'
_cell_volume [282.8481]
_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  0.5000  0.0000  0.5000  1.0
  As  As1  4  0.2853  0.5828  0.2191  1.0
  Pd  Pd2  4  0.0550  0.5986  0.7218  1.0
  Pd  Pd3  4  0.2534  0.2392  0.1145  1.0
  Pd  Pd4  4  0.3571  0.6525  0.5345  1.0
]