data_[Cs1Er1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [7.0033]
_cell_length_b [7.2605]
_cell_length_c [9.6568]
_cell_angle_alpha [85.2700]
_cell_angle_beta [82.6592]
_cell_angle_gamma [87.2330]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsEr(PbBr4)2]
_chemical_formula_sum '[Cs1 Er1 Pb2 Br8]'
_cell_volume [484.9878]
_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
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4780  0.4959  0.7491  1.0
  Br  Br3  2  0.2211  0.8199  0.1922  1.0
  Br  Br4  2  0.2266  0.3132  0.9989  1.0
  Br  Br5  2  0.2600  0.4005  0.5340  1.0
  Br  Br6  2  0.2659  0.8692  0.7839  1.0
]