data_HfFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.65
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeP2
_chemical_formula_sum   'Hf1 Fe1 P2'
_cell_volume   58.95
_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  0.68  0.0  0.41  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.82  0.23  1.0
  P  P3  1  0.0  0.82  0.58  1.0

data_HfFeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.65
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeP2
_chemical_formula_sum   'Hf1 Fe1 P2'
_cell_volume   58.95
_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  0.41  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.82  0.23  1.0
  P  P3  1  0.0  0.82  0.58  1.0

Hf Fe P P
Hf Fe P P 0 2 + - o 0 3 + - o 1 2 o - o 2 3 o o o 