data_YPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.99
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPt2Au
_chemical_formula_sum   'Y1 Pt2 Au1'
_cell_volume   75.67
_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
  Y  Y3  1  0.0  0.0  0.8  1.0
  Pt  Pt1  1  0.0  0.0  0.7  1.0
  Pt  Pt2  1  0.65  1.0  0.44  1.0
  Au  Au0  1  0.65  1.0  0.4  1.0

data_YPt2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.31
_cell_length_b   3.99
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YPt2Au
_chemical_formula_sum   'Y1 Pt2 Au1'
_cell_volume   75.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.0  0.0  0.8  1.0
  Pt  Pt1  1  0.0  0.0  0.7  1.0
  Pt  Pt2  1  0.65  0.0  0.44  1.0
  Au  Au3  1  0.65  0.0  0.4  1.0

Y Pt Pt Au
Y Pt Pt Au 0 1 o o o 2 3 o o o 