data_[Na8Ga4Sn4Br20]
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 [4.2688]
_cell_length_b [18.2406]
_cell_length_c [15.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2GaSnBr5]
_chemical_formula_sum '[Na8 Ga4 Sn4 Br20]'
_cell_volume [1230.9149]
_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  0.0388  0.6623  1.0
  Na  Na1  4  0.0000  0.1496  0.2496  1.0
  Ga  Ga2  4  0.0000  0.4340  0.4360  1.0
  Sn  Sn3  4  0.0000  0.2738  0.0355  1.0
  Br  Br4  4  0.0000  0.1091  0.0600  1.0
  Br  Br5  4  0.0000  0.2205  0.6756  1.0
  Br  Br6  4  0.0000  0.2416  0.4041  1.0
  Br  Br7  4  0.0000  0.4327  0.0345  1.0
  Br  Br8  4  0.0000  0.4639  0.7664  1.0
]