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 [Immm]
_cell_length_a [4.9065]
_cell_length_b [10.0735]
_cell_length_c [22.6578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na12Tl5Hg2]
_chemical_formula_sum '[Na24 Tl10 Hg4]'
_cell_volume [1119.8878]
_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  0.0000  0.2401  0.4093  1
  Na  Na1  8  0.0000  0.2578  0.2010  1
  Na  Na2  4  0.0000  0.0000  0.0996  1
  Na  Na3  4  0.0000  0.5000  0.0803  1
  Tl  Tl4  4  0.0000  0.0000  0.3027  1
  Tl  Tl5  4  0.0000  0.5000  0.3022  1
  Tl  Tl6  2  0.0000  0.5000  0.5000  1
  Hg  Hg7  4  0.0000  0.2269  0.0000  1
]