data_[Th14Tc4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8444]
_cell_length_b [16.0922]
_cell_length_c [10.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th7(TcHg)2]
_chemical_formula_sum '[Th14 Tc4 Hg4]'
_cell_volume [629.2483]
_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
[
  Th  Th0  4  0.0000  0.1533  0.2624  1
  Th  Th1  4  0.0000  0.1799  0.8957  1
  Th  Th2  4  0.0000  0.3629  0.1032  1
  Th  Th3  2  0.0000  0.5000  0.5381  1
  Tc  Tc4  4  0.0000  0.2715  0.5844  1
  Hg  Hg5  2  0.0000  0.0000  0.7612  1
  Hg  Hg6  2  0.0000  0.5000  0.8630  1
]