data_[Na8Sn4H4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2066]
_cell_length_b [21.8369]
_cell_length_c [12.6217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnHBr5]
_chemical_formula_sum '[Na8 Sn4 H4 Br20]'
_cell_volume [1159.4272]
_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  0.1312  0.3513  1.0
  Na  Na1  4  0.0000  0.1758  0.6676  1.0
  Sn  Sn2  4  0.0000  0.1694  0.0110  1.0
  H  H3  4  0.0000  0.4941  0.4098  1.0
  Br  Br4  4  0.0000  0.0491  0.0443  1.0
  Br  Br5  4  0.0000  0.3122  0.6869  1.0
  Br  Br6  4  0.0000  0.3336  0.0082  1.0
  Br  Br7  4  0.0000  0.3367  0.3388  1.0
  Br  Br8  4  0.0000  0.4772  0.8060  1.0
]