data_[Th16Tc4Hg2]
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 [C2/m]
_cell_length_a [11.9807]
_cell_length_b [6.7651]
_cell_length_c [8.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th8Tc2Hg]
_chemical_formula_sum '[Th16 Tc4 Hg2]'
_cell_volume [644.2128]
_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  8  0.0016  0.2641  0.7041  1
  Th  Th1  4  0.1887  0.5000  0.0812  1
  Th  Th2  4  0.2448  0.5000  0.6527  1
  Tc  Tc3  4  0.1485  0.0000  0.5875  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]