data_[Tb4Tl6V2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0646]
_cell_length_b [12.1870]
_cell_length_c [8.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tl3VSe6]
_chemical_formula_sum '[Tb4 Tl6 V2 Se12]'
_cell_volume [666.2998]
_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
[
  Tb  Tb0  4  0.0000  0.3343  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1736  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2195  0.1537  0.1962  1.0
  Se  Se5  4  0.2415  0.0000  0.7957  1.0
]