data_[Th12Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3501]
_cell_length_b [8.0895]
_cell_length_c [11.9496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6NiHg2]
_chemical_formula_sum '[Th12 Ni2 Hg4]'
_cell_volume [525.8600]
_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  0.0717  0.6880  0.9568  1
  Th  Th1  4  0.3318  0.1704  0.9548  1
  Th  Th2  4  0.3802  0.5242  0.7452  1
  Ni  Ni3  2  0.5000  0.0000  0.5000  1
  Hg  Hg4  4  0.1385  0.6189  0.2462  1
]