data_[Cs1Dy1Pb2I8]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7293]
_cell_length_b [7.8516]
_cell_length_c [10.3950]
_cell_angle_alpha [83.5788]
_cell_angle_beta [79.0869]
_cell_angle_gamma [84.1228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsDy(PbI4)2]
_chemical_formula_sum '[Cs1 Dy1 Pb2 I8]'
_cell_volume [613.4136]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Dy  Dy1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4548  0.4836  0.7414  1.0
  I  I3  2  0.2109  0.7973  0.1920  1.0
  I  I4  2  0.2169  0.3045  0.9998  1.0
  I  I5  2  0.2594  0.3956  0.5293  1.0
  I  I6  2  0.2797  0.8702  0.7706  1.0
]