data_[Cs6Sr6Hg9]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0348]
_cell_length_b [6.0348]
_cell_length_c [29.4956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2Sr2Hg3]
_chemical_formula_sum '[Cs6 Sr6 Hg9]'
_cell_volume [930.2639]
_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  0.2484  1
  Cs  Cs1  3  0.0000  0.0000  0.7517  1
  Sr  Sr2  3  0.0000  0.0000  0.0074  1
  Sr  Sr3  3  0.0000  0.0000  0.4934  1
  Hg  Hg4  3  0.0000  0.0000  0.1259  1
  Hg  Hg5  3  0.0000  0.0000  0.3751  1
  Hg  Hg6  3  0.0000  0.0000  0.6232  1
]