data_NbPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   4.06
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPPt
_chemical_formula_sum   'Nb4 P4 Pt4'
_cell_volume   182.41
_cell_formula_units_Z   4
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  0.88  0.02  0.22  1.0
  Nb  Nb1  1  0.23  0.05  0.92  1.0
  Nb  Nb2  1  0.2  0.05  0.18  1.0
  Nb  Nb3  1  0.84  0.02  0.48  1.0
  P  P4  1  0.58  0.02  0.55  1.0
  P  P5  1  0.46  0.05  0.85  1.0
  P  P6  1  0.5  0.05  0.85  1.0
  P  P7  1  0.61  0.02  0.54  1.0
  Pt  Pt8  1  0.27  0.02  0.29  1.0
  Pt  Pt9  1  0.84  0.05  0.59  1.0
  Pt  Pt10  1  0.81  0.05  0.11  1.0
  Pt  Pt11  1  0.23  0.02  0.8  1.0

data_NbPPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.06
_cell_length_b   6.07
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbPPt
_chemical_formula_sum   'Nb4 P4 Pt4'
_cell_volume   182.41
_cell_formula_units_Z   4
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
  Nb  Nb0  2  0.48  0.3  0.78  1.0
  Nb  Nb1  2  0.48  0.34  0.52  1.0
  P  P2  2  0.48  0.04  0.85  1.0
  P  P3  2  0.48  0.08  0.85  1.0
  Pt  Pt4  2  0.48  0.69  0.11  1.0
  Pt  Pt5  2  0.48  0.73  0.59  1.0

Nb Nb Nb Nb P P P P Pt Pt Pt Pt
Nb Nb Nb Nb P P P P Pt Pt Pt Pt 0 10 o o o 1 11 o o o 2 8 o o o 3 9 o o o 4 7 o o o 5 6 o o o 