data_HfCrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrP
_chemical_formula_sum   'Hf1 Cr1 P1'
_cell_volume   45.65
_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  0.98  0.14  0.16  1.0
  Cr  Cr0  1  1.0  0.28  0.78  1.0
  P  P2  1  0.0  0.0  0.8  1.0

data_HfCrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.95
_cell_length_c   3.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrP
_chemical_formula_sum   'Hf1 Cr1 P1'
_cell_volume   45.65
_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  0.16  0.98  0.14  1.0
  Cr  Cr1  1  0.78  1.0  0.28  1.0
  P  P2  1  0.8  0.0  0.0  1.0

Hf Cr P
Hf Cr P 0 1 o o - 0 2 + o - 1 2 + o o 