data_[Dy1Tl2Br3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.6426]
_cell_length_b [8.6426]
_cell_length_c [3.8820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [DyTl2(BrCl)3]
_chemical_formula_sum '[Dy1 Tl2 Br3 Cl3]'
_cell_volume [251.1201]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.3333  0.6667  0.5000  1
  Br  Br2  3  0.0000  0.4134  0.0000  1
  Cl  Cl3  3  0.0000  0.7790  0.5000  1
]