data_[Sn2Ir2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3829]
_cell_length_b [3.8301]
_cell_length_c [7.0073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnIrBr]
_chemical_formula_sum '[Sn2 Ir2 Br2]'
_cell_volume [143.1505]
_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  0.1759  0.7500  0.1313  1
  Ir  Ir1  2  0.3427  0.2500  0.8890  1
  Br  Br2  2  0.2653  0.7500  0.6340  1
]