data_Hf2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.54
_cell_angle_alpha   98.44
_cell_angle_beta   98.44
_cell_angle_gamma   40.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrRu
_chemical_formula_sum   'Hf2 Cr1 Ru1'
_cell_volume   69.42
_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  0.43  0.0  0.12  1.0
  Hf  Hf2  1  0.03  0.0  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.73  0.0  0.73  1.0

data_Hf2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.44
_cell_length_c   5.54
_cell_angle_alpha   98.44
_cell_angle_beta   90.0
_cell_angle_gamma   110.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrRu
_chemical_formula_sum   'Hf2 Cr1 Ru1'
_cell_volume   69.42
_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  0.57  0.88  1.0
  Hf  Hf1  1  0.0  0.97  0.65  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.27  0.27  1.0

Hf Hf Cr Ru
Hf Hf Cr Ru 0 2 o o o 0 1 o o o 1 2 o o o 2 3 - o - 