data_[Cs3Na1Ge2Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.9404]
_cell_length_b [7.9404]
_cell_length_c [9.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3NaGe2Br9]
_chemical_formula_sum '[Cs3 Na1 Ge2 Br9]'
_cell_volume [530.4173]
_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  2  0.3333  0.6667  0.6674  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Na  Na2  1  0.0000  0.0000  0.5000  1
  Ge  Ge3  2  0.3333  0.6667  0.1678  1
  Br  Br4  6  0.1754  0.8246  0.3238  1
  Br  Br5  3  0.0000  0.5000  0.0000  1
]