data_[Th4Cd2Hg2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0303]
_cell_length_b [4.0303]
_cell_length_c [14.6782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Th2CdHgC]
_chemical_formula_sum '[Th4 Cd2 Hg2 C2]'
_cell_volume [238.4228]
_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  2  0.0000  0.5000  0.0832  1
  Th  Th1  2  0.0000  0.5000  0.7539  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.3482  1
  C  C4  2  0.0000  0.5000  0.9160  1
]