data_[Na24Tl10Hg4]
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 [14.9297]
_cell_length_b [9.3825]
_cell_length_c [8.1533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na12Tl5Hg2]
_chemical_formula_sum '[Na24 Tl10 Hg4]'
_cell_volume [1141.3232]
_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  0.1282  0.2932  0.6692  1.0
  Na  Na1  8  0.1546  0.1861  0.2434  1.0
  Na  Na2  4  0.0528  0.5000  0.3090  1.0
  Na  Na3  4  0.0870  0.0000  0.8812  1.0
  Tl  Tl4  4  0.1994  0.5000  0.0041  1.0
  Tl  Tl5  4  0.2402  0.0000  0.5791  1.0
  Tl  Tl6  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg7  4  0.0000  0.3126  0.0000  1.0
]