data_Hf2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   137.91
_cell_angle_beta   124.07
_cell_angle_gamma   72.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRu
_chemical_formula_sum   'Hf2 Tl1 Ru1'
_cell_volume   80.45
_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  0.48  0.43  1.0
  Hf  Hf1  1  0.9  0.0  0.84  1.0
  Tl  Tl3  1  0.0  0.0  0.27  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   3.8
_cell_length_b   4.96
_cell_length_c   5.29
_cell_angle_alpha   117.96
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRu
_chemical_formula_sum   'Hf2 Tl1 Ru1'
_cell_volume   80.45
_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  0.06  0.16  0.06  1.0
  Hf  Hf1  1  0.57  0.05  0.05  1.0
  Tl  Tl2  1  0.73  0.73  0.73  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Hf Tl Ru
Hf Hf Tl Ru 0 1 - o - 0 1 - + o 0 3 o + + 0 3 o o o 0 2 o o o 1 3 + o + 2 3 o o o 