data_[Tl4Cr4Ru2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2676]
_cell_length_b [9.2867]
_cell_length_c [6.7670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cr2RuO6]
_chemical_formula_sum '[Tl4 Cr4 Ru2 O12]'
_cell_volume [320.1672]
_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  4  0.0000  0.1660  0.0000  1.0
  Cr  Cr1  4  0.0000  0.3339  0.5000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.2149  0.1700  0.6562  1.0
  O  O4  4  0.2228  0.5000  0.6556  1.0
]