data_[Ti2Tl2Co2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2917]
_cell_length_b [3.6149]
_cell_length_c [9.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiTlCoSe3]
_chemical_formula_sum '[Ti2 Tl2 Co2 Se6]'
_cell_volume [277.6193]
_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  2  0.4708  0.7500  0.1749  1.0
  Tl  Tl1  2  0.0069  0.2500  0.7167  1.0
  Co  Co2  2  0.4805  0.2500  0.3990  1.0
  Se  Se3  2  0.2513  0.2500  0.1679  1.0
  Se  Se4  2  0.3237  0.2500  0.5598  1.0
  Se  Se5  2  0.3338  0.7500  0.8854  1.0
]