data_NaP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   3.67
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaP2Os
_chemical_formula_sum   'Na1 P2 Os1'
_cell_volume   70.63
_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
  Na  Na0  1  0.0  0.0  0.2  1.0
  P  P2  1  0.0  0.0  0.23  1.0
  P  P3  1  0.45  0.84  0.42  1.0
  Os  Os1  1  0.45  0.84  0.72  1.0

data_NaP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.67
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaP2Os
_chemical_formula_sum   'Na1 P2 Os1'
_cell_volume   70.63
_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
  Na  Na0  1  0.0  0.0  0.2  1.0
  P  P1  1  0.0  0.0  0.23  1.0
  P  P2  1  0.45  0.84  0.42  1.0
  Os  Os3  1  0.45  0.84  0.72  1.0

Na P P Os
Na P P Os 0 1 o o o 0 2 o - o 0 2 - - o 1 2 o - o 1 2 - - o 2 3 o o o 