data_[Ti4Tl4Co2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0089]
_cell_length_b [10.3972]
_cell_length_c [7.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Tl2CoS6]
_chemical_formula_sum '[Ti4 Tl4 Co2 S12]'
_cell_volume [478.3939]
_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
[
  Ti  Ti0  4  0.0000  0.3286  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1703  0.0000  1.0
  Co  Co2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2279  0.1586  0.6784  1.0
  S  S4  4  0.2445  0.5000  0.6730  1.0
]