data_[Th8Tc12Ge16]
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 [Cmce]
_cell_length_a [6.2671]
_cell_length_b [15.0869]
_cell_length_c [7.1913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Th2Tc3Ge4]
_chemical_formula_sum '[Th8 Tc12 Ge16]'
_cell_volume [679.9353]
_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  8  0.0000  0.1141  0.4110  1
  Tc  Tc1  8  0.2500  0.2316  0.7500  1
  Tc  Tc2  4  0.0000  0.0000  0.0000  1
  Ge  Ge3  8  0.0000  0.1780  0.0157  1
  Ge  Ge4  8  0.2500  0.0562  0.7500  1
]