data_[Th6Tc2Ge6]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.6356]
_cell_length_b [8.6356]
_cell_length_c [5.9256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Th3TcGe3]
_chemical_formula_sum '[Th6 Tc2 Ge6]'
_cell_volume [382.6910]
_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  6  0.0895  0.6842  0.2500  1
  Tc  Tc1  2  0.3333  0.6667  0.7500  1
  Ge  Ge2  6  0.0789  0.7238  0.7500  1
]