data_Tl2CuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   145.89
_cell_angle_beta   134.51
_cell_angle_gamma   58.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuRu
_chemical_formula_sum   'Tl2 Cu1 Ru1'
_cell_volume   75.41
_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  0.0  0.89  1.0
  Tl  Tl3  1  0.69  0.0  0.59  1.0
  Cu  Cu0  1  0.0  0.0  0.29  1.0
  Ru  Ru1  1  0.0  0.22  0.34  1.0

data_Tl2CuRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.45
_cell_length_c   5.75
_cell_angle_alpha   112.74
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuRu
_chemical_formula_sum   'Tl2 Cu1 Ru1'
_cell_volume   75.41
_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  0.0  0.59  0.9  1.0
  Tl  Tl1  1  0.0  0.89  0.89  1.0
  Cu  Cu2  1  0.0  0.29  0.29  1.0
  Ru  Ru3  1  0.78  0.12  0.12  1.0

Tl Tl Cu Ru