data_[Cu2Pt2Au28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.6505]
_cell_length_b [6.0523]
_cell_length_c [9.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CuPtAu14]
_chemical_formula_sum '[Cu2 Pt2 Au28]'
_cell_volume [567.1031]
_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  0.0535  1
  Pt  Pt1  2  0.5000  0.0000  0.5537  1
  Au  Au2  8  0.2593  0.2459  0.1234  1
  Au  Au3  4  0.0000  0.2479  0.9471  1
  Au  Au4  4  0.2518  0.0000  0.3760  1
  Au  Au5  4  0.2537  0.0000  0.8745  1
  Au  Au6  4  0.5000  0.2496  0.8058  1
  Au  Au7  2  0.0000  0.0000  0.1972  1
  Au  Au8  2  0.0000  0.0000  0.6954  1
]