data_Nb2SnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnPt
_chemical_formula_sum   'Nb2 Sn1 Pt1'
_cell_volume   73.41
_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  0.76  0.76  0.05  1.0
  Nb  Nb1  1  0.0  0.0  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.44  1.0
  Pt  Pt2  1  0.76  0.76  0.97  1.0

data_Nb2SnPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2SnPt
_chemical_formula_sum   'Nb4 Sn2 Pt2'
_cell_volume   146.82
_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  0.47  1.0
  Nb  Nb1  2  0.26  0.5  0.05  1.0
  Sn  Sn2  2  0.0  0.0  0.44  1.0
  Pt  Pt3  2  0.26  0.5  0.97  1.0

Nb Nb Sn Pt
Nb Nb Sn Pt 0 3 o o - 1 2 o o o 