data_[Sn2Sb2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [9.3076]
_cell_length_b [11.1194]
_cell_length_c [5.8825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SnSbBr5]
_chemical_formula_sum '[Sn2 Sb2 Br10]'
_cell_volume [608.8102]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.8739  1.0
  Sb  Sb1  2  0.0000  0.5000  0.0458  1.0
  Br  Br2  4  0.0000  0.2480  0.0218  1.0
  Br  Br3  4  0.1938  0.0000  0.5120  1.0
  Br  Br4  2  0.0000  0.5000  0.4820  1.0
]