data_[Cs1Er1Ge2Br8]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6866]
_cell_length_b [7.4585]
_cell_length_c [10.2962]
_cell_angle_alpha [93.6283]
_cell_angle_beta [93.5579]
_cell_angle_gamma [97.3695]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsEr(GeBr4)2]
_chemical_formula_sum '[Cs1 Er1 Ge2 Br8]'
_cell_volume [506.9521]
_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
  Ge  Ge2  2  0.4428  0.5669  0.8068  1.0
  Br  Br3  2  0.2109  0.6945  0.9737  1.0
  Br  Br4  2  0.2259  0.1805  0.8235  1.0
  Br  Br5  2  0.2557  0.6028  0.6008  1.0
  Br  Br6  2  0.2817  0.1293  0.2111  1.0
]