data_[Tl4V4Sn2Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7250]
_cell_length_b [11.3504]
_cell_length_c [7.9382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2V2SnSe6]
_chemical_formula_sum '[Tl4 V4 Sn2 Se12]'
_cell_volume [591.0558]
_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  0.1647  0.0000  1.0
  V  V1  4  0.0000  0.3483  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2321  0.1855  0.6810  1.0
  Se  Se4  4  0.1856  0.5000  0.7032  1.0
]