data_YNbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbPt2
_chemical_formula_sum   'Y1 Nb1 Pt2'
_cell_volume   78.16
_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  0.4  1.0
  Nb  Nb0  1  0.44  0.0  0.23  1.0
  Pt  Pt1  1  0.0  0.0  0.12  1.0
  Pt  Pt2  1  0.44  0.0  0.95  1.0

data_YNbPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YNbPt2
_chemical_formula_sum   'Y1 Nb1 Pt2'
_cell_volume   78.17
_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  0.4  1.0
  Nb  Nb1  1  0.44  0.0  0.23  1.0
  Pt  Pt2  1  0.0  0.0  0.12  1.0
  Pt  Pt3  1  0.44  0.0  0.95  1.0

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