data_HfAl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   133.35
_cell_angle_beta   133.35
_cell_angle_gamma   68.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Cr
_chemical_formula_sum   'Hf1 Al2 Cr1'
_cell_volume   64.51
_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  Hf3  1  0.0  0.98  0.07  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.98  0.0  0.07  1.0
  Cr  Cr2  1  0.0  0.0  0.13  1.0

data_HfAl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.99
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Cr
_chemical_formula_sum   'Hf1 Al2 Cr1'
_cell_volume   64.51
_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  0.09  0.07  0.09  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.07  0.09  0.09  1.0
  Cr  Cr3  1  0.13  0.13  0.13  1.0

Hf Al Al Cr
Hf Al Al Cr 0 2 - + o 0 1 o + o 0 3 o + o 1 2 - o o 2 3 + o o 