data_[Na1Er1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.6050]
_cell_length_b [7.0180]
_cell_length_c [8.5279]
_cell_angle_alpha [88.4747]
_cell_angle_beta [89.2290]
_cell_angle_gamma [87.8163]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaEr(GeBr4)2]
_chemical_formula_sum '[Na1 Er1 Ge2 Br8]'
_cell_volume [394.8500]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4719  0.4713  0.7429  1.0
  Br  Br3  2  0.2268  0.8252  0.7636  1.0
  Br  Br4  2  0.2442  0.3212  0.9802  1.0
  Br  Br5  2  0.2498  0.8497  0.2386  1.0
  Br  Br6  2  0.2757  0.3476  0.5164  1.0
]