data_[Cs1Dy1Pb2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0145]
_cell_length_b [7.2773]
_cell_length_c [9.6689]
_cell_angle_alpha [85.3969]
_cell_angle_beta [83.0765]
_cell_angle_gamma [87.6168]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsDy(PbBr4)2]
_chemical_formula_sum '[Cs1 Dy1 Pb2 Br8]'
_cell_volume [488.1276]
_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  0.4817  0.4978  0.7488  1.0
  Br  Br3  2  0.2227  0.8196  0.1946  1.0
  Br  Br4  2  0.2311  0.3154  0.9992  1.0
  Br  Br5  2  0.2605  0.4001  0.5341  1.0
  Br  Br6  2  0.2661  0.8676  0.7835  1.0
]