data_[La12Tl2Co4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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/m]
_cell_length_a [19.9085]
_cell_length_b [4.1575]
_cell_length_c [9.3860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TlCo2Br3]
_chemical_formula_sum '[La12 Tl2 Co4 Br6]'
_cell_volume [739.2414]
_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
[
  La  La0  4  0.0349  0.0000  0.2732  1.0
  La  La1  4  0.1691  0.5000  0.1368  1.0
  La  La2  4  0.1862  0.5000  0.5655  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Co  Co4  4  0.1728  0.0000  0.3457  1.0
  Br  Br5  4  0.1650  0.0000  0.8407  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]