data_Hf2TaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   146.5
_cell_angle_beta   130.13
_cell_angle_gamma   61.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaRu
_chemical_formula_sum   'Hf2 Ta1 Ru1'
_cell_volume   74.2
_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  0.0  0.03  1.0
  Hf  Hf1  1  0.0  0.37  0.26  1.0
  Ta  Ta3  1  0.62  0.0  0.59  1.0
  Ru  Ru2  1  0.0  0.0  0.79  1.0

data_Hf2TaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.74
_cell_length_c   5.62
_cell_angle_alpha   114.93
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaRu
_chemical_formula_sum   'Hf2 Ta1 Ru1'
_cell_volume   74.2
_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  0.74  0.11  0.11  1.0
  Hf  Hf1  1  0.97  0.97  0.97  1.0
  Ta  Ta2  1  0.03  0.41  0.03  1.0
  Ru  Ru3  1  0.21  0.21  0.21  1.0

Hf Hf Ta Ru