data_[Cs4Dy2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.9721]
_cell_length_b [7.9721]
_cell_length_c [12.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs2DyBr6]
_chemical_formula_sum '[Cs4 Dy2 Br12]'
_cell_volume [714.6142]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.1202  1
  Cs  Cs1  2  0.3333  0.6667  0.8759  1
  Dy  Dy2  2  0.3333  0.6667  0.2536  1
  Br  Br3  6  0.0052  0.5026  0.1276  1
  Br  Br4  6  0.1644  0.3288  0.3725  1
]