data_[Na24Tl4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1319]
_cell_length_b [10.6103]
_cell_length_c [8.5581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na12Tl2Hg5]
_chemical_formula_sum '[Na24 Tl4 Hg10]'
_cell_volume [1172.8653]
_cell_formula_units_Z [2]
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  8  0.1080  0.2658  0.3943  1.0
  Na  Na1  8  0.1741  0.1704  0.8053  1.0
  Na  Na2  4  0.1017  0.0000  0.1586  1.0
  Na  Na3  4  0.1065  0.5000  0.7603  1.0
  Tl  Tl4  4  0.0000  0.2749  0.0000  1.0
  Hg  Hg5  4  0.1302  0.5000  0.1564  1.0
  Hg  Hg6  4  0.2397  0.0000  0.5013  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]