data_HfFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   3.73
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeP
_chemical_formula_sum   'Hf4 Fe4 P4'
_cell_volume   163.85
_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  0.23  0.93  0.22  1.0
  Hf  Hf1  1  0.02  0.8  0.81  1.0
  Hf  Hf2  1  0.11  0.93  0.3  1.0
  Hf  Hf3  1  0.14  0.8  0.73  1.0
  Fe  Fe4  1  0.32  0.8  0.08  1.0
  Fe  Fe5  1  0.93  0.93  0.95  1.0
  Fe  Fe6  1  0.19  0.8  0.44  1.0
  Fe  Fe7  1  0.05  0.93  0.59  1.0
  P  P8  1  0.75  0.93  0.22  1.0
  P  P9  1  0.49  0.8  0.81  1.0
  P  P10  1  0.87  0.93  0.32  1.0
  P  P11  1  0.37  0.8  0.71  1.0

data_HfFeP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.73
_cell_length_b   6.24
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfFeP
_chemical_formula_sum   'Hf4 Fe4 P4'
_cell_volume   163.85
_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  0.48  0.78  1.0
  Hf  Hf1  2  0.07  0.61  0.7  1.0
  Fe  Fe2  2  0.07  0.31  0.44  1.0
  Fe  Fe3  2  0.07  0.43  0.08  1.0
  P  P4  2  0.07  0.13  0.71  1.0
  P  P5  2  0.07  0.25  0.81  1.0

Hf Hf Hf Hf Fe Fe Fe Fe P P P P
Hf Hf Hf Hf Fe Fe Fe Fe P P P P 0 2 o o o 0 4 o o o 1 3 o o o 1 5 - o o 2 6 o o o 3 7 o o o 8 10 o o o 9 11 o o o 