data_[Cu2Pt2Au4]
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 [Cm]
_cell_length_a [9.3585]
_cell_length_b [2.9073]
_cell_length_c [4.8300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuPtAu2]
_chemical_formula_sum '[Cu2 Pt2 Au4]'
_cell_volume [128.3408]
_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  0.4958  0.0000  0.4948  1.0
  Pt  Pt1  2  0.2585  0.5000  0.2578  1.0
  Au  Au2  2  0.0029  0.0000  0.0065  1.0
  Au  Au3  2  0.2429  0.0000  0.7408  1.0
]