data_Hf2ZrCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   146.27
_cell_angle_beta   129.52
_cell_angle_gamma   62.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrCr
_chemical_formula_sum   'Hf2 Zr1 Cr1'
_cell_volume   79.1
_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  0.66  0.0  0.07  1.0
  Hf  Hf2  1  0.0  0.44  0.82  1.0
  Zr  Zr3  1  0.0  0.0  0.9  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Hf2ZrCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.87
_cell_length_c   5.71
_cell_angle_alpha   115.24
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrCr
_chemical_formula_sum   'Hf2 Zr1 Cr1'
_cell_volume   79.1
_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  0.0  0.07  0.42  1.0
  Hf  Hf1  1  0.56  0.39  0.39  1.0
  Zr  Zr2  1  0.0  0.9  0.9  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Hf Hf Zr Cr