data_[Sr3Cd9In3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [11.5476]
_cell_length_b [11.5476]
_cell_length_c [7.8113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrCd3InHg6]
_chemical_formula_sum '[Sr3 Cd9 In3 Hg18]'
_cell_volume [902.0645]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3957  1.0
  Cd  Cd1  9  0.0962  0.3891  0.3786  1.0
  In  In2  3  0.0000  0.0000  0.8382  1.0
  Hg  Hg3  9  0.0485  0.6154  0.2836  1.0
  Hg  Hg4  9  0.0962  0.5383  0.7363  1.0
]