data_Nb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   141.62
_cell_angle_beta   141.62
_cell_angle_gamma   55.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb2 Pt1'
_cell_volume   52.19
_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  0.03  1.0
  Nb  Nb1  1  0.0  0.0  0.08  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_Nb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   117.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb4 Pt2'
_cell_volume   104.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.92  1.0
  Nb  Nb1  2  0.0  0.0  0.97  1.0
  Pt  Pt2  2  0.0  0.0  0.0  1.0

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