data_[Tl2V2Co4Br16]
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
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8021]
_cell_length_b [7.4136]
_cell_length_c [9.6162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlV(CoBr4)2]
_chemical_formula_sum '[Tl2 V2 Co4 Br16]'
_cell_volume [767.7295]
_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  2  0.0000  0.0000  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.1245  0.5000  0.7966  1
  Br  Br3  8  0.0144  0.2428  0.1945  1
  Br  Br4  4  0.1969  0.5000  0.5751  1
  Br  Br5  4  0.2333  0.0000  0.9976  1
]