data_[Ag1Pt2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8343]
_cell_length_b [4.0823]
_cell_length_c [5.7910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AgPt2Au]
_chemical_formula_sum '[Ag1 Pt2 Au1]'
_cell_volume [67.0031]
_cell_formula_units_Z [1]
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
[
  Ag  Ag0  1  0.0000  0.0000  0.4993  1.0
  Pt  Pt1  1  0.0000  0.0000  0.0120  1.0
  Pt  Pt2  1  0.5000  0.5000  0.2385  1.0
  Au  Au3  1  0.5000  0.5000  0.7502  1.0
]