data_NbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPt2
_chemical_formula_sum   'Nb2 Pt4'
_cell_volume   99.16
_cell_formula_units_Z   2
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  0.63  0.38  1.0
  Nb  Nb1  1  0.28  0.32  0.14  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.76  1.0
  Pt  Pt4  1  0.0  0.63  0.14  1.0
  Pt  Pt5  1  0.28  0.32  0.38  1.0

data_NbPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPt2
_chemical_formula_sum   'Nb2 Pt4'
_cell_volume   99.16
_cell_formula_units_Z   2
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  0.63  0.38  1.0
  Nb  Nb1  1  0.28  0.32  0.14  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.76  1.0
  Pt  Pt4  1  0.0  0.63  0.14  1.0
  Pt  Pt5  1  0.28  0.32  0.38  1.0

Nb Nb Pt Pt Pt Pt
Nb Nb Pt Pt Pt Pt 0 4 o o o 1 2 o o o 1 5 o o o 2 3 o o - 