data_[Na4Ga8Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3772]
_cell_length_b [18.5128]
_cell_length_c [15.3483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaGa2SnBr5]
_chemical_formula_sum '[Na4 Ga8 Sn4 Br20]'
_cell_volume [1243.7353]
_cell_formula_units_Z [4]
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  4  0.0000  0.4548  0.4477  1.0
  Ga  Ga1  4  0.0000  0.0811  0.6539  1.0
  Ga  Ga2  4  0.0000  0.1211  0.2595  1.0
  Sn  Sn3  4  0.0000  0.2317  0.0312  1.0
  Br  Br4  4  0.0000  0.0703  0.0683  1.0
  Br  Br5  4  0.0000  0.2614  0.6701  1.0
  Br  Br6  4  0.0000  0.2964  0.4021  1.0
  Br  Br7  4  0.0000  0.3919  0.0179  1.0
  Br  Br8  4  0.0000  0.4905  0.7733  1.0
]