data_[Cu2As4Pd16]
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 [7.4189]
_cell_length_b [11.0516]
_cell_length_c [4.4634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(AsPd4)2]
_chemical_formula_sum '[Cu2 As4 Pd16]'
_cell_volume [350.2814]
_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  0.0000  0.0000  0.5000  1.0
  As  As1  4  0.0000  0.3224  0.0000  1.0
  Pd  Pd2  8  0.1950  0.1237  0.0935  1.0
  Pd  Pd3  4  0.0000  0.2343  0.5000  1.0
  Pd  Pd4  4  0.1293  0.5000  0.3290  1.0
]