data_Y2NbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   41.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbPt
_chemical_formula_sum   'Y2 Nb1 Pt1'
_cell_volume   97.57
_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  0.0  0.0  0.93  1.0
  Y  Y3  1  0.13  0.0  0.56  1.0
  Nb  Nb0  1  0.0  0.0  0.07  1.0
  Pt  Pt1  1  0.13  0.0  0.5  1.0

data_Y2NbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.26
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   110.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbPt
_chemical_formula_sum   'Y2 Nb1 Pt1'
_cell_volume   97.57
_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  0.07  0.0  0.07  1.0
  Y  Y1  1  0.44  0.13  0.44  1.0
  Nb  Nb2  1  0.93  0.0  0.93  1.0
  Pt  Pt3  1  0.5  0.13  0.5  1.0

Y Y Nb Pt
Y Y Nb Pt 0 2 o o + 1 3 o o o 