data_[Pt28Rh2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.3194]
_cell_length_b [5.5848]
_cell_length_c [9.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pt14RhAu]
_chemical_formula_sum '[Pt28 Rh2 Au2]'
_cell_volume [504.3031]
_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
[
  Pt  Pt0  8  0.2502  0.2482  0.3748  1
  Pt  Pt1  4  0.0000  0.2497  0.5405  1
  Pt  Pt2  4  0.2486  0.0000  0.1256  1
  Pt  Pt3  4  0.2529  0.0000  0.6242  1
  Pt  Pt4  4  0.5000  0.2500  0.2099  1
  Pt  Pt5  2  0.0000  0.0000  0.2904  1
  Pt  Pt6  2  0.0000  0.0000  0.7902  1
  Rh  Rh7  2  0.5000  0.0000  0.4597  1
  Au  Au8  2  0.5000  0.0000  0.9601  1
]