data_[Th6Ga8Hg4]
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 [11.4231]
_cell_length_b [4.4481]
_cell_length_c [8.7886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(Ga2Hg)2]
_chemical_formula_sum '[Th6 Ga8 Hg4]'
_cell_volume [432.9287]
_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  0.1593  0.5000  0.6738  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0405  0.0000  0.3792  1
  Ga  Ga3  4  0.2090  0.5000  0.0362  1
  Hg  Hg4  4  0.1330  0.5000  0.2969  1
]