data_[Na2Tc2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.1854]
_cell_length_b [7.1854]
_cell_length_c [12.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [NaTcHgBr6]
_chemical_formula_sum '[Na2 Tc2 Hg2 Br12]'
_cell_volume [554.5483]
_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  0.3333  0.6667  0.2500  1
  Tc  Tc1  2  0.3333  0.6667  0.7500  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Br  Br3  12  0.0421  0.3846  0.6299  1
]