data_[Tl4Co4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9390]
_cell_length_b [13.3461]
_cell_length_c [7.3795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCoBr4]
_chemical_formula_sum '[Tl4 Co4 Br16]'
_cell_volume [820.9157]
_cell_formula_units_Z [4]
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  0.3550  0.2500  1.0
  Co  Co1  4  0.0000  0.0042  0.2500  1.0
  Br  Br2  8  0.0015  0.1211  0.5077  1.0
  Br  Br3  8  0.2085  0.4885  0.6238  1.0
]