data_[Ti2Ge4Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5677]
_cell_length_b [3.9472]
_cell_length_c [6.2540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(GeRh4)2]
_chemical_formula_sum '[Ti2 Ge4 Rh16]'
_cell_volume [317.0050]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.0000  1
  Ge  Ge1  4  0.2222  0.0000  0.6665  1
  Rh  Rh2  4  0.0391  0.0000  0.7204  1
  Rh  Rh3  4  0.1103  0.5000  0.4641  1
  Rh  Rh4  4  0.1373  0.0000  0.1838  1
  Rh  Rh5  4  0.1767  0.5000  0.9244  1
]