data_HfP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   92.79
_cell_angle_beta   92.79
_cell_angle_gamma   154.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP8
_chemical_formula_sum   'Hf1 P8'
_cell_volume   159.97
_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  0.0  1.0
  P  P1  1  0.59  0.41  0.6  1.0
  P  P2  1  0.41  0.59  0.6  1.0
  P  P3  1  0.66  0.0  0.0  1.0
  P  P4  1  0.59  0.59  0.6  1.0
  P  P5  1  0.0  0.66  0.0  1.0
  P  P6  1  0.41  0.41  0.0  1.0
  P  P7  1  0.35  0.0  0.0  1.0
  P  P8  1  0.0  0.35  0.0  1.0

data_HfP8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.2
_cell_length_b   14.15
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfP8
_chemical_formula_sum   'Hf2 P16'
_cell_volume   319.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  P  P1  4  -0.0  0.41  0.4  1.0
  P  P2  4  0.17  0.17  -0.0  1.0
  P  P3  4  0.33  0.33  -0.0  1.0
  P  P4  2  0.09  0.5  -0.0  1.0
  P  P5  2  0.41  0.0  0.4  1.0

Hf P P P P P P P P