data_HfZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.77
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrCr2
_chemical_formula_sum   'Hf1 Zr1 Cr2'
_cell_volume   68.54
_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  0.19  0.89  0.72  1.0
  Zr  Zr3  1  0.65  0.0  0.71  1.0
  Cr  Cr0  1  0.25  0.89  0.25  1.0
  Cr  Cr1  1  0.92  0.0  0.26  1.0

data_HfZrCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.77
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrCr2
_chemical_formula_sum   'Hf1 Zr1 Cr2'
_cell_volume   68.54
_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  0.19  0.89  0.72  1.0
  Zr  Zr1  1  0.65  0.0  0.71  1.0
  Cr  Cr2  1  0.25  0.89  0.25  1.0
  Cr  Cr3  1  0.92  0.0  0.26  1.0

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