data_HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.16
_cell_angle_alpha   112.54
_cell_angle_beta   112.54
_cell_angle_gamma   34.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr
_chemical_formula_sum   'Hf3 Cr3'
_cell_volume   100.39
_cell_formula_units_Z   3
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  0.26  0.0  0.62  1.0
  Hf  Hf4  1  0.56  0.0  0.28  1.0
  Hf  Hf5  1  0.83  0.0  0.93  1.0
  Cr  Cr0  1  0.0  0.0  0.76  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.08  0.0  0.8  1.0

data_HfCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.21
_cell_length_c   7.06
_cell_angle_alpha   69.53
_cell_angle_beta   77.41
_cell_angle_gamma   72.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr
_chemical_formula_sum   'Hf3 Cr3'
_cell_volume   100.39
_cell_formula_units_Z   3
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  0.0  0.29  0.28  1.0
  Hf  Hf1  1  0.0  0.64  0.62  1.0
  Hf  Hf2  1  0.0  0.9  0.93  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cr  Cr4  1  0.0  0.25  0.76  1.0
  Cr  Cr5  1  0.0  0.28  0.8  1.0

Hf Hf Hf Cr Cr Cr