data_[Sr2Pb6I4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8969]
_cell_length_b [8.9311]
_cell_length_c [6.9537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPb3(IBr3)2]
_chemical_formula_sum '[Sr2 Pb6 I4 Br12]'
_cell_volume [984.8645]
_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
  Pb  Pb1  4  0.2500  0.2500  0.5000  1.0
  Pb  Pb2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1741  0.5000  0.7800  1.0
  Br  Br4  8  0.0805  0.2464  0.2551  1.0
  Br  Br5  4  0.1713  0.0000  0.7276  1.0
]