data_[Na4Tl1Hg15]
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 [P4/mmm]
_cell_length_a [4.7753]
_cell_length_b [4.7753]
_cell_length_c [23.2788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na4TlHg15]
_chemical_formula_sum '[Na4 Tl1 Hg15]'
_cell_volume [530.8286]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2034  1
  Na  Na1  2  0.0000  0.0000  0.4004  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0000  0.5000  0.1050  1
  Hg  Hg4  4  0.0000  0.5000  0.3018  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
  Hg  Hg6  2  0.5000  0.5000  0.2033  1
  Hg  Hg7  2  0.5000  0.5000  0.4003  1
  Hg  Hg8  1  0.5000  0.5000  0.0000  1
]