data_[Th6Si16Tc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2133]
_cell_length_b [10.0813]
_cell_length_c [11.7229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Th3Si8Tc3]
_chemical_formula_sum '[Th6 Si16 Tc6]'
_cell_volume [497.9379]
_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  0.0000  0.0000  0.1808  1
  Th  Th1  2  0.0000  0.0000  0.5000  1
  Si  Si2  8  0.0000  0.2845  0.3796  1
  Si  Si3  8  0.0000  0.3624  0.1674  1
  Tc  Tc4  4  0.0000  0.2224  0.0000  1
  Tc  Tc5  2  0.0000  0.5000  0.5000  1
]