data_Hf2AlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   20.28
_cell_angle_beta   20.28
_cell_angle_gamma   20.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlCr
_chemical_formula_sum   'Hf2 Al1 Cr1'
_cell_volume   74.58
_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  Hf2  1  0.0  0.0  0.87  1.0
  Hf  Hf3  1  0.0  0.0  0.32  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.1  1.0

data_Hf2AlCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   101.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2AlCr
_chemical_formula_sum   'Hf4 Al2 Cr2'
_cell_volume   149.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.68  1.0
  Hf  Hf1  2  -0.0  0.0  0.13  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Cr  Cr3  2  -0.0  0.0  0.9  1.0

Hf Hf Al Cr