data_[Tl4V2Cu4Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1801]
_cell_length_b [3.8301]
_cell_length_c [7.8700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2V(CuSe2)2]
_chemical_formula_sum '[Tl4 V2 Cu4 Se8]'
_cell_volume [406.0779]
_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  0.1345  0.0000  0.5746  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1829  0.5000  0.9835  1.0
  Se  Se3  4  0.0143  0.5000  0.7858  1.0
  Se  Se4  4  0.1895  0.0000  0.1794  1.0
]