data_HfNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2P
_chemical_formula_sum   'Hf1 Nb2 P1'
_cell_volume   71.44
_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
  Hf  Hf0  1  0.0  0.0  0.14  1.0
  Nb  Nb1  1  0.76  0.0  0.52  1.0
  Nb  Nb2  1  0.76  0.0  0.76  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_HfNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2P
_chemical_formula_sum   'Hf1 Nb2 P1'
_cell_volume   71.44
_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
  Hf  Hf0  1  0.0  0.0  0.14  1.0
  Nb  Nb1  1  0.76  0.0  0.52  1.0
  Nb  Nb2  1  0.76  0.0  0.76  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Hf Nb Nb P
Hf Nb Nb P 0 3 o o o 1 2 o o o 2 3 + o + 