data_NbP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   141.87
_cell_angle_beta   141.87
_cell_angle_gamma   55.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbP2Os
_chemical_formula_sum   'Nb1 P2 Os1'
_cell_volume   57.99
_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  0.75  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.75  0.0  0.37  1.0
  Os  Os1  1  0.0  0.75  0.37  1.0

data_NbP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   5.35
_cell_angle_alpha   109.07
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbP2Os
_chemical_formula_sum   'Nb1 P2 Os1'
_cell_volume   57.99
_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  0.75  0.75  0.75  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.37  0.62  0.62  1.0
  Os  Os3  1  0.62  0.37  0.62  1.0

Nb P P Os
Nb P P Os 0 2 - o o 0 3 o - o 0 1 o o + 2 3 + - o 