data_[Cs1Er1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8414]
_cell_length_b [7.4169]
_cell_length_c [9.8617]
_cell_angle_alpha [82.8824]
_cell_angle_beta [86.8776]
_cell_angle_gamma [85.8182]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsEr(SnBr4)2]
_chemical_formula_sum '[Cs1 Er1 Sn2 Br8]'
_cell_volume [494.7023]
_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
  Sn  Sn2  2  0.4743  0.4722  0.7557  1.0
  Br  Br3  2  0.2177  0.3157  0.9643  1.0
  Br  Br4  2  0.2389  0.8391  0.8070  1.0
  Br  Br5  2  0.2578  0.8609  0.2052  1.0
  Br  Br6  2  0.2646  0.3907  0.5514  1.0
]