data_[Na2Mg4Tl4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9522]
_cell_length_b [10.9522]
_cell_length_c [4.4175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [NaMg2Tl2Hg5]
_chemical_formula_sum '[Na2 Mg4 Tl4 Hg10]'
_cell_volume [529.8909]
_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  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.1231  0.3769  0.0000  1.0
  Tl  Tl2  4  0.1752  0.6752  0.0000  1.0
  Hg  Hg3  8  0.0729  0.1963  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]