data_[Na2Tl2In4Hg12]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7929]
_cell_length_b [8.7435]
_cell_length_c [11.1092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.7470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTl(InHg3)2]
_chemical_formula_sum '[Na2 Tl2 In4 Hg12]'
_cell_volume [564.7585]
_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  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0861  0.6561  0.3442  1.0
  Hg  Hg3  4  0.1272  0.6373  0.6429  1.0
  Hg  Hg4  4  0.3609  0.1488  0.8826  1.0
  Hg  Hg5  4  0.4486  0.1391  0.2042  1.0
]