data_[Sr8Sn4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [13.7782]
_cell_length_b [6.6179]
_cell_length_c [6.6630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2SnBr]
_chemical_formula_sum '[Sr8 Sn4 Br4]'
_cell_volume [582.6744]
_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
[
  Sr  Sr0  4  0.1275  0.5000  0.9340  1
  Sr  Sr1  4  0.1448  0.0000  0.4163  1
  Sn  Sn2  4  0.0966  0.5000  0.4237  1
  Br  Br3  4  0.1352  0.0000  0.9180  1
]