data_[Na3Sr3Hg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.6003]
_cell_length_b [9.6003]
_cell_length_c [20.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaSrHg17]
_chemical_formula_sum '[Na3 Sr3 Hg51]'
_cell_volume [1609.5908]
_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
[
  Na  Na0  3  0.0000  0.0000  0.7187  1
  Sr  Sr1  3  0.0000  0.0000  0.2770  1
  Hg  Hg2  18  0.0252  0.3572  0.6675  1
  Hg  Hg3  9  0.0550  0.5275  0.1181  1
  Hg  Hg4  9  0.1670  0.3339  0.8330  1
  Hg  Hg5  9  0.2016  0.4033  0.2161  1
  Hg  Hg6  3  0.0000  0.0000  0.0894  1
  Hg  Hg7  3  0.0000  0.0000  0.9087  1
]