data_[Th12Tc4Hg6Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7490]
_cell_length_b [4.1007]
_cell_length_c [9.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Tc2Hg3Os]
_chemical_formula_sum '[Th12 Tc4 Hg6 Os2]'
_cell_volume [690.3185]
_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  0.0136  0.0000  0.2212  1
  Th  Th1  4  0.1555  0.5000  0.1132  1
  Th  Th2  4  0.1789  0.5000  0.5514  1
  Tc  Tc3  4  0.1666  0.0000  0.3305  1
  Hg  Hg4  4  0.1644  0.0000  0.8294  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
  Os  Os6  2  0.0000  0.5000  0.0000  1
]