data_[Na4Sr4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2399]
_cell_length_b [13.9681]
_cell_length_c [9.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaSrSnBr5]
_chemical_formula_sum '[Na4 Sr4 Sn4 Br20]'
_cell_volume [1333.3605]
_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  0.4971  0.2500  1.0
  Sr  Sr1  4  0.2500  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0121  0.7500  1.0
  Br  Br3  8  0.0123  0.1353  0.0608  1.0
  Br  Br4  8  0.1945  0.4501  0.1059  1.0
  Br  Br5  4  0.0000  0.2994  0.7500  1.0
]