data_[Na3Ca6La3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3733]
_cell_length_b [5.3733]
_cell_length_c [26.8855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaCa2LaHg4]
_chemical_formula_sum '[Na3 Ca6 La3 Hg12]'
_cell_volume [672.2599]
_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  0.5000  1.0
  Ca  Ca1  6  0.0000  0.0000  0.2454  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  6  0.0000  0.0000  0.1242  1.0
  Hg  Hg4  6  0.0000  0.0000  0.3756  1.0
]