data_[Tl6V4Cr2Se12]
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
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6811]
_cell_length_b [11.3258]
_cell_length_c [7.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3V2CrSe6]
_chemical_formula_sum '[Tl6 V4 Cr2 Se12]'
_cell_volume [573.0770]
_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  0.1745  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  V  V2  4  0.0000  0.3464  0.0000  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2218  0.1674  0.1758  1.0
  Se  Se5  4  0.2380  0.5000  0.1899  1.0
]