data_[Tl1Co1Br2]
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 [Pm]
_cell_length_a [5.0722]
_cell_length_b [3.8677]
_cell_length_c [6.8321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlCoBr2]
_chemical_formula_sum '[Tl1 Co1 Br2]'
_cell_volume [125.0881]
_cell_formula_units_Z [1]
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  1  0.7175  0.5000  0.2962  1
  Co  Co1  1  0.3251  0.0000  0.4467  1
  Br  Br2  1  0.0816  0.0000  0.0854  1
  Br  Br3  1  0.3758  0.5000  0.6718  1
]