data_[Cs4Sr2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1888]
_cell_length_b [8.2822]
_cell_length_c [14.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2SrHgBr6]
_chemical_formula_sum '[Cs4 Sr2 Hg2 Br12]'
_cell_volume [792.0696]
_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
[
  Cs  Cs0  4  0.2373  0.5464  0.7487  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1722  0.7199  0.4680  1.0
  Br  Br4  4  0.2472  0.2049  0.4681  1.0
  Br  Br5  4  0.3029  0.5042  0.2420  1.0
]