data_Hf2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.28
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   94.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRu
_chemical_formula_sum   'Hf2 Tl1 Ru1'
_cell_volume   78.29
_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  0.22  0.64  0.81  1.0
  Hf  Hf1  1  0.44  0.64  0.58  1.0
  Tl  Tl3  1  0.72  0.0  0.7  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Hf2TlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.28
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   94.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRu
_chemical_formula_sum   'Hf2 Tl1 Ru1'
_cell_volume   78.29
_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  0.22  0.64  0.81  1.0
  Hf  Hf1  1  0.44  0.64  0.58  1.0
  Tl  Tl2  1  0.72  0.0  0.7  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Hf Tl Ru