data_Y2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.54
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2RePt
_chemical_formula_sum   'Y2 Re1 Pt1'
_cell_volume   82.85
_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  Y2  1  0.65  0.77  0.67  1.0
  Y  Y3  1  0.56  0.77  0.11  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.88  0.0  0.39  1.0

data_Y2RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.54
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2RePt
_chemical_formula_sum   'Y2 Re1 Pt1'
_cell_volume   82.85
_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  0.56  0.77  0.11  1.0
  Y  Y1  1  0.65  0.77  0.67  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.88  0.0  0.39  1.0

Y Y Re Pt
Y Y Re Pt 0 3 o + o 0 2 + + + 1 2 o + o 1 2 + + o 1 3 o + o 2 3 - o o 