data_[Ce4Th6Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1847]
_cell_length_b [4.4032]
_cell_length_c [9.9431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Th3Ge4]
_chemical_formula_sum '[Ce4 Th6 Ge8]'
_cell_volume [486.7207]
_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
[
  Ce  Ce0  4  0.1663  0.5000  0.8092  1
  Th  Th1  4  0.1339  0.5000  0.4032  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.0787  0.0000  0.6135  1
  Ge  Ge4  4  0.1629  0.5000  0.1113  1
]