data_[Tl2Ir2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2822]
_cell_length_b [2.8643]
_cell_length_c [4.9121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlIrRu2]
_chemical_formula_sum '[Tl2 Ir2 Ru4]'
_cell_volume [128.6930]
_cell_formula_units_Z [2]
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  2  0.4991  0.0000  0.4995  1
  Ru  Ru1  2  0.0020  0.0000  0.0040  1
  Ru  Ru2  2  0.2389  0.5000  0.2202  1
  Ir  Ir3  2  0.2600  0.0000  0.7763  1
]