data_[Cs4Dy2In2Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2630]
_cell_length_b [8.6027]
_cell_length_c [14.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2DyInBr6]
_chemical_formula_sum '[Cs4 Dy2 In2 Br12]'
_cell_volume [845.9719]
_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  4  0.2677  0.5618  0.7495  1.0
  Dy  Dy1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1538  0.5163  0.2307  1.0
  Br  Br4  4  0.2215  0.2267  0.0398  1.0
  Br  Br5  4  0.3161  0.6841  0.0385  1.0
]