data_NbP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.92
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   105.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbP2Os
_chemical_formula_sum   'Nb1 P2 Os1'
_cell_volume   59.47
_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  0.0  1.0
  P  P2  1  0.83  0.07  0.31  1.0
  P  P3  1  0.83  0.93  0.31  1.0
  Os  Os1  1  0.94  0.0  0.0  1.0

data_NbP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   105.51
_cell_angle_beta   105.43
_cell_angle_gamma   105.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbP2Os
_chemical_formula_sum   'Nb1 P2 Os1'
_cell_volume   59.47
_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  0.0  1.0
  P  P1  1  0.31  0.83  0.07  1.0
  P  P2  1  0.31  0.83  0.93  1.0
  Os  Os3  1  0.0  0.94  0.0  1.0

Nb P P Os