data_[Sr2Sn2Br8]
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 [15.7491]
_cell_length_b [4.5204]
_cell_length_c [7.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSnBr4]
_chemical_formula_sum '[Sr2 Sn2 Br8]'
_cell_volume [484.9993]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  Br  Br2  4  0.1163  0.5000  0.4430  1.0
  Br  Br3  4  0.1166  0.0000  0.9532  1.0
]