data_NaNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2P
_chemical_formula_sum   'Na1 Nb2 P1'
_cell_volume   75.78
_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  0.55  1.0
  Nb  Nb1  1  0.77  0.0  0.85  1.0
  Nb  Nb2  1  0.0  0.0  0.65  1.0
  P  P3  1  0.77  0.0  0.88  1.0

data_NaNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2P
_chemical_formula_sum   'Na1 Nb2 P1'
_cell_volume   75.78
_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  0.55  1.0
  Nb  Nb1  1  0.0  0.0  0.65  1.0
  Nb  Nb2  1  0.77  0.0  0.85  1.0
  P  P3  1  0.77  0.0  0.88  1.0

Na Nb Nb P
Na Nb Nb P 0 2 o o o 1 3 o o o 