data_[Y4Tl6V2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.0650]
_cell_length_b [12.1529]
_cell_length_c [8.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl3VSe6]
_chemical_formula_sum '[Y4 Tl6 V2 Se12]'
_cell_volume [664.6132]
_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
[
  Y  Y0  4  0.0000  0.3343  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1737  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  0.2197  0.1541  0.1961  1.0
  Se  Se5  4  0.2422  0.0000  0.7959  1.0
]