data_[Tl2V2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  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 [8.2174]
_cell_length_b [3.5680]
_cell_length_c [9.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlVCoSe3]
_chemical_formula_sum '[Tl2 V2 Co2 Se6]'
_cell_volume [260.8356]
_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  0.4964  0.2500  0.2833  1
  V  V1  2  0.0375  0.7500  0.8255  1
  Co  Co2  2  0.0288  0.2500  0.6094  1
  Se  Se3  2  0.1561  0.7500  0.1170  1
  Se  Se4  2  0.1740  0.2500  0.4369  1
  Se  Se5  2  0.2583  0.2500  0.8493  1
]