data_[Th6Co9Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3818]
_cell_length_b [5.3818]
_cell_length_c [15.4024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Co3Ge2]
_chemical_formula_sum '[Th6 Co9 Ge6]'
_cell_volume [386.3374]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Co  Co2  9  0.0000  0.5000  0.5000  1
  Ge  Ge3  6  0.0000  0.0000  0.2850  1
]