data_[Tl4Co4Cu4Br20]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0041]
_cell_length_b [12.0253]
_cell_length_c [8.8935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCoCuBr5]
_chemical_formula_sum '[Tl4 Co4 Cu4 Br20]'
_cell_volume [1031.7798]
_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  0.3699  0.7500  1.0
  Co  Co1  4  0.0000  0.2880  0.2500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1281  0.1735  0.1202  1.0
  Br  Br4  8  0.1495  0.4029  0.4358  1.0
  Br  Br5  4  0.0000  0.0821  0.7500  1.0
]