data_Al2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   145.83
_cell_angle_beta   129.38
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlRu
_chemical_formula_sum   'Al2 Tl1 Ru1'
_cell_volume   69.76
_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
  Al  Al0  1  0.0  0.0  0.1  1.0
  Al  Al1  1  0.6  0.0  0.53  1.0
  Tl  Tl3  1  0.0  0.33  0.23  1.0
  Ru  Ru2  1  0.0  0.0  0.46  1.0

data_Al2TlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.67
_cell_length_c   5.46
_cell_angle_alpha   115.31
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlRu
_chemical_formula_sum   'Al2 Tl1 Ru1'
_cell_volume   69.76
_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
  Al  Al0  1  0.07  0.47  0.07  1.0
  Al  Al1  1  0.9  0.9  0.9  1.0
  Tl  Tl2  1  0.77  0.11  0.11  1.0
  Ru  Ru3  1  0.54  0.54  0.54  1.0

Al Al Tl Ru