data_[Th6Ga4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2616]
_cell_length_b [4.8498]
_cell_length_c [9.1046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(GaHg2)2]
_chemical_formula_sum '[Th6 Ga4 Hg8]'
_cell_volume [448.1376]
_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  0.1661  0.5000  0.6685  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1017  0.5000  0.2724  1
  Hg  Hg3  4  0.0832  0.0000  0.4131  1
  Hg  Hg4  4  0.1976  0.5000  0.0375  1
]