[CIF]
data_CaTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24348395
_cell_length_b   9.24348395
_cell_length_c   9.24348395
_cell_angle_alpha   22.01900705
_cell_angle_beta   22.01900705
_cell_angle_gamma   22.01900705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Ru
_chemical_formula_sum   'Ca1 Tl2 Ru1'
_cell_volume   97.32214150
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru1  1  0.00000000  -0.00000000  13.52391295  1
  Tl  Tl2  1  -0.00000000  -0.00000000  20.60093116  1
  Tl  Tl3  1  -0.00000000  -0.00000000  6.44689475  1
[/CIF]
