data_[Sr6Ni9Hg3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1410]
_cell_length_b [7.1410]
_cell_length_c [16.6952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Ni3HgF12]
_chemical_formula_sum '[Sr6 Ni9 Hg3 F36]'
_cell_volume [737.2827]
_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  6  0.0000  0.0000  0.3855  1
  Ni  Ni1  9  0.0000  0.5000  0.5000  1
  Hg  Hg2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0475  0.5238  0.8036  1
  F  F4  18  0.0523  0.5262  0.3794  1
]