data_[Cs4Dy4Br16]
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 [C2/c]
_cell_length_a [17.6374]
_cell_length_b [7.0945]
_cell_length_c [7.9344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsDyBr4]
_chemical_formula_sum '[Cs4 Dy4 Br16]'
_cell_volume [953.1388]
_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
[
  Cs  Cs0  4  0.0000  0.1860  0.2500  1.0
  Dy  Dy1  4  0.2500  0.2500  0.0000  1.0
  Br  Br2  8  0.0978  0.3743  0.9392  1.0
  Br  Br3  8  0.1990  0.0709  0.6614  1.0
]