data_Y2NbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.03
_cell_angle_alpha   113.79
_cell_angle_beta   113.79
_cell_angle_gamma   32.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbPt
_chemical_formula_sum   'Y2 Nb1 Pt1'
_cell_volume   93.28
_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  0.3  0.0  0.09  1.0
  Y  Y3  1  0.27  0.0  0.39  1.0
  Nb  Nb0  1  0.47  0.0  0.05  1.0
  Pt  Pt1  1  0.45  0.0  0.31  1.0

data_Y2NbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.03
_cell_length_c   6.14
_cell_angle_alpha   113.79
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbPt
_chemical_formula_sum   'Y2 Nb1 Pt1'
_cell_volume   93.28
_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  0.09  0.3  1.0
  Y  Y1  1  0.0  0.39  0.27  1.0
  Nb  Nb2  1  0.0  0.05  0.47  1.0
  Pt  Pt3  1  0.0  0.31  0.45  1.0

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