data_[Cs3Sr3Hg6Br18]
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 [R3]
_cell_length_a [7.8352]
_cell_length_b [7.8352]
_cell_length_c [21.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsSr(HgBr3)2]
_chemical_formula_sum '[Cs3 Sr3 Hg6 Br18]'
_cell_volume [1124.7492]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4850  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0178  1.0
  Hg  Hg2  3  0.0000  0.0000  0.2155  1.0
  Hg  Hg3  3  0.0000  0.0000  0.7056  1.0
  Br  Br4  9  0.0388  0.7037  0.2934  1.0
  Br  Br5  9  0.1243  0.3404  0.7865  1.0
]