data_HfP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   4.28
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP
_chemical_formula_sum   'Hf4 P4'
_cell_volume   135.06
_cell_formula_units_Z   4
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  0.18  0.21  0.23  1.0
  Hf  Hf1  1  0.99  0.07  0.74  1.0
  Hf  Hf2  1  0.34  0.21  0.24  1.0
  Hf  Hf3  1  0.15  0.07  0.75  1.0
  P  P4  1  0.25  0.21  0.69  1.0
  P  P5  1  0.91  0.07  0.18  1.0
  P  P6  1  0.42  0.21  0.8  1.0
  P  P7  1  0.07  0.07  0.29  1.0

data_HfP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.28
_cell_length_b   4.98
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfP
_chemical_formula_sum   'Hf4 P4'
_cell_volume   135.06
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.74  0.01  1.0
  Hf  Hf1  2  0.07  0.75  0.18  1.0
  P  P2  2  0.07  0.2  0.09  1.0
  P  P3  2  0.07  0.31  0.25  1.0

Hf Hf Hf Hf P P P P