data_ZrPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.91
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtAu2
_chemical_formula_sum   'Zr1 Pt1 Au2'
_cell_volume   72.95
_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
  Zr  Zr3  1  0.4  0.0  0.51  1.0
  Pt  Pt2  1  0.94  0.95  0.09  1.0
  Au  Au0  1  0.04  0.95  0.05  1.0
  Au  Au1  1  0.48  0.0  0.53  1.0

data_ZrPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.91
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtAu2
_chemical_formula_sum   'Zr1 Pt1 Au2'
_cell_volume   72.95
_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
  Zr  Zr0  1  0.4  0.0  0.51  1.0
  Pt  Pt1  1  0.94  0.95  0.09  1.0
  Au  Au2  1  0.04  0.95  0.05  1.0
  Au  Au3  1  0.48  0.0  0.53  1.0

Zr Pt Au Au