data_Tl2HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   154.43
_cell_angle_beta   142.19
_cell_angle_gamma   46.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2HgRu
_chemical_formula_sum   'Tl2 Hg1 Ru1'
_cell_volume   96.3
_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
  Tl  Tl2  1  0.0  0.32  0.74  1.0
  Tl  Tl3  1  0.0  0.0  0.23  1.0
  Hg  Hg0  1  0.0  0.32  0.89  1.0
  Ru  Ru1  1  0.0  0.0  0.86  1.0

data_Tl2HgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.63
_cell_length_c   7.15
_cell_angle_alpha   108.91
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2HgRu
_chemical_formula_sum   'Tl2 Hg1 Ru1'
_cell_volume   96.3
_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
  Tl  Tl0  1  0.26  0.58  0.58  1.0
  Tl  Tl1  1  0.77  0.77  0.77  1.0
  Hg  Hg2  1  0.11  0.43  0.43  1.0
  Ru  Ru3  1  0.14  0.14  0.14  1.0

Tl Tl Hg Ru