data_[Na4Tl2In2Hg12]
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 [7.8982]
_cell_length_b [8.7907]
_cell_length_c [10.2266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2TlInHg6]
_chemical_formula_sum '[Na4 Tl2 In2 Hg12]'
_cell_volume [555.9490]
_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  4  0.2627  0.6408  0.4406  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.1050  0.6073  0.6494  1.0
  Hg  Hg4  4  0.2253  0.2141  0.8155  1.0
  Hg  Hg5  4  0.4870  0.1609  0.2041  1.0
]