data_[Sr4Pb4Se6Br4]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0303]
_cell_length_b [6.0303]
_cell_length_c [15.7069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr2Pb2Se3Br2]
_chemical_formula_sum '[Sr4 Pb4 Se6 Br4]'
_cell_volume [571.1787]
_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  4  0.0000  0.5000  0.0000  1
  Pb  Pb1  4  0.0000  0.0000  0.2123  1
  Se  Se2  4  0.0000  0.5000  0.2500  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.0000  0.4013  1
]