data_Nb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   148.22
_cell_angle_beta   138.2
_cell_angle_gamma   53.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb2 Pt1'
_cell_volume   51.87
_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
  Nb  Nb0  1  0.0  0.0  0.19  1.0
  Nb  Nb1  1  0.0  0.0  0.27  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_Nb2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.78
_cell_length_c   5.3
_cell_angle_alpha   110.9
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb2 Pt1'
_cell_volume   51.87
_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
  Nb  Nb0  1  0.73  0.73  0.73  1.0
  Nb  Nb1  1  0.81  0.81  0.81  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

Nb Nb Pt
Nb Nb Pt 0 1 o o o 0 2 o o o 