data_[Na36Ga3Hg21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.4364]
_cell_length_b [14.4364]
_cell_length_c [9.3440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12GaHg7]
_chemical_formula_sum '[Na36 Ga3 Hg21]'
_cell_volume [1686.4912]
_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  18  0.0331  0.2451  0.9103  1.0
  Na  Na1  18  0.0702  0.8144  0.4634  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0100  0.1513  0.2295  1.0
  Hg  Hg4  3  0.0000  0.0000  0.5000  1.0
]