data_[Th8In2Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3612]
_cell_length_b [5.4751]
_cell_length_c [11.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4InHg7]
_chemical_formula_sum '[Th8 In2 Hg14]'
_cell_volume [700.3906]
_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  0.0769  0.5000  0.7749  1
  Th  Th1  4  0.2364  0.5000  0.3241  1
  In  In2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0851  0.0000  0.3358  1
  Hg  Hg4  4  0.1331  0.5000  0.5371  1
  Hg  Hg5  4  0.2045  0.0000  0.9141  1
  Hg  Hg6  2  0.0000  0.5000  0.0000  1
]