data_[Cu2As2Pd8]
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 [5.1289]
_cell_length_b [7.6788]
_cell_length_c [4.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuAsPd4]
_chemical_formula_sum '[Cu2 As2 Pd8]'
_cell_volume [179.0253]
_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  0.0000  1.0
  As  As1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.1156  0.6611  0.0797  1.0
  Pd  Pd3  4  0.3949  0.1657  0.8892  1.0
]