data_HfCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Ru
_chemical_formula_sum   'Hf1 Cr2 Ru1'
_cell_volume   59.45
_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  0.47  0.0  0.0  1.0
  Cr  Cr0  1  0.24  0.13  0.41  1.0
  Cr  Cr1  1  0.24  0.87  0.41  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   119.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Ru
_chemical_formula_sum   'Hf1 Cr2 Ru1'
_cell_volume   59.45
_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  0.47  0.0  1.0
  Cr  Cr1  1  0.41  0.24  0.87  1.0
  Cr  Cr2  1  0.41  0.24  0.13  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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