data_[Cu28As2Pd2]
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 [Amm2]
_cell_length_a [8.5140]
_cell_length_b [5.1623]
_cell_length_c [9.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cu14AsPd]
_chemical_formula_sum '[Cu28 As2 Pd2]'
_cell_volume [399.7005]
_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  8  0.2410  0.2498  0.8723  1
  Cu  Cu1  4  0.0000  0.2485  0.5391  1
  Cu  Cu2  4  0.2423  0.0000  0.1260  1
  Cu  Cu3  4  0.2467  0.0000  0.6257  1
  Cu  Cu4  4  0.5000  0.2491  0.2130  1
  Cu  Cu5  2  0.0000  0.0000  0.2891  1
  Cu  Cu6  2  0.0000  0.0000  0.7875  1
  As  As7  2  0.5000  0.0000  0.4642  1
  Pd  Pd8  2  0.5000  0.0000  0.9625  1
]