data_Hf2FeP6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeP6
_chemical_formula_sum   'Hf2 Fe1 P6'
_cell_volume   134.01
_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  Hf1  1  0.39  0.96  0.68  1.0
  Hf  Hf2  1  0.0  0.92  0.68  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.42  0.46  0.68  1.0
  P  P4  1  0.81  0.41  0.68  1.0
  P  P5  1  0.15  0.0  0.68  1.0
  P  P6  1  0.8  0.08  0.0  1.0
  P  P7  1  0.19  0.79  0.0  1.0
  P  P8  1  0.4  0.0  0.0  1.0

data_Hf2FeP6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeP6
_chemical_formula_sum   'Hf2 Fe1 P6'
_cell_volume   134.01
_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  0.68  0.0  0.92  1.0
  Hf  Hf1  1  0.68  0.39  0.96  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  P  P3  1  -0.0  0.19  0.79  1.0
  P  P4  1  -0.0  0.8  0.08  1.0
  P  P5  1  0.0  0.4  0.0  1.0
  P  P6  1  0.68  0.15  0.0  1.0
  P  P7  1  0.68  0.42  0.46  1.0
  P  P8  1  0.68  0.81  0.41  1.0

Hf Hf Fe P P P P P P