data_YRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   4.8
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2Pt
_chemical_formula_sum   'Y1 Ru2 Pt1'
_cell_volume   74.21
_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  0.0  1.0
  Ru  Ru1  1  0.02  0.4  0.15  1.0
  Ru  Ru2  1  0.97  0.4  0.48  1.0
  Pt  Pt0  1  0.5  0.0  0.31  1.0

data_YRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.64
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2Pt
_chemical_formula_sum   'Y1 Ru2 Pt1'
_cell_volume   74.21
_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  Y0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.03  0.52  0.6  1.0
  Ru  Ru2  1  0.98  0.85  0.6  1.0
  Pt  Pt3  1  0.5  0.69  0.0  1.0

Y Ru Ru Pt
Y Ru Ru Pt 0 3 - o o 0 3 o o o 0 1 o o o 1 2 - o o 1 3 o o o 2 3 o o o 