data_[Tl4V4Cu2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6430]
_cell_length_b [12.1653]
_cell_length_c [8.4424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2V2CuTe6]
_chemical_formula_sum '[Tl4 V4 Cu2 Te12]'
_cell_volume [647.1847]
_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  0.1524  0.0000  1.0
  V  V1  4  0.0000  0.3113  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2451  0.3329  0.2953  1.0
  Te  Te4  4  0.2280  0.5000  0.6628  1.0
]