data_[Ce6Tc6Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2725]
_cell_length_b [10.5579]
_cell_length_c [11.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3Tc3Ge8]
_chemical_formula_sum '[Ce6 Tc6 Ge16]'
_cell_volume [537.8694]
_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  0.0000  0.0000  0.1719  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Tc  Tc2  4  0.0000  0.2135  0.0000  1
  Tc  Tc3  2  0.0000  0.5000  0.5000  1
  Ge  Ge4  8  0.0000  0.2940  0.3772  1
  Ge  Ge5  8  0.0000  0.3711  0.1625  1
]