data_HfTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.51
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Ru
_chemical_formula_sum   'Hf1 Te2 Ru1'
_cell_volume   84.65
_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  0.48  0.0  0.39  1.0
  Te  Te2  1  0.16  0.75  0.7  1.0
  Te  Te3  1  0.37  0.75  0.08  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HfTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.56
_cell_length_c   6.86
_cell_angle_alpha   98.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Ru
_chemical_formula_sum   'Hf1 Te2 Ru1'
_cell_volume   84.65
_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  0.52  0.61  1.0
  Te  Te1  1  0.25  0.63  0.92  1.0
  Te  Te2  1  0.25  0.84  0.3  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Te Te Ru