data_[Tl2Cr4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2031]
_cell_length_b [2.9628]
_cell_length_c [4.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCr2Ru]
_chemical_formula_sum '[Tl2 Cr4 Ru2]'
_cell_volume [125.4707]
_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  0.2488  0.5000  0.2460  1
  Cr  Cr1  2  0.2550  0.0000  0.7486  1
  Cr  Cr2  2  0.4760  0.5000  0.9570  1
  Ru  Ru3  2  0.0201  0.5000  0.5484  1
]