data_HfTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   17.03
_cell_angle_beta   17.03
_cell_angle_gamma   17.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Ru
_chemical_formula_sum   'Hf1 Tc2 Ru1'
_cell_volume   63.89
_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  0.02  1.0
  Tc  Tc2  1  0.0  0.0  0.21  1.0
  Tc  Tc3  1  0.0  0.0  0.83  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HfTc2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   99.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTc2Ru
_chemical_formula_sum   'Hf2 Tc4 Ru2'
_cell_volume   127.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.98  1.0
  Tc  Tc1  2  0.0  0.0  0.17  1.0
  Tc  Tc2  2  0.0  0.0  0.79  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Hf Tc Tc Ru