data_[Th4Co20Ge12]
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 [Cmcm]
_cell_length_a [3.8338]
_cell_length_b [12.0231]
_cell_length_c [11.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThCo5Ge3]
_chemical_formula_sum '[Th4 Co20 Ge12]'
_cell_volume [529.7592]
_cell_formula_units_Z [4]
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  0.1832  0.2500  1
  Co  Co1  8  0.0000  0.1910  0.5680  1
  Co  Co2  8  0.0000  0.4516  0.1443  1
  Co  Co3  4  0.0000  0.0000  0.0000  1
  Ge  Ge4  8  0.0000  0.3779  0.5434  1
  Ge  Ge5  4  0.0000  0.0988  0.7500  1
]