data_[Tl6Co9Ru3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3682]
_cell_length_b [7.3682]
_cell_length_c [18.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2Co3RuF12]
_chemical_formula_sum '[Tl6 Co9 Ru3 F36]'
_cell_volume [887.2824]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4028  1
  Co  Co1  9  0.0000  0.5000  0.5000  1
  Ru  Ru2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0633  0.5316  0.8573  1
  F  F4  18  0.0776  0.5388  0.6093  1
]