data_[Ti4Ge4Rh12]
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 [13.4136]
_cell_length_b [4.0017]
_cell_length_c [5.4344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiGeRh3]
_chemical_formula_sum '[Ti4 Ge4 Rh12]'
_cell_volume [290.9681]
_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
[
  Ti  Ti0  4  0.1004  0.5000  0.4952  1.0
  Ge  Ge1  4  0.1897  0.0000  0.8118  1.0
  Rh  Rh2  4  0.0028  0.0000  0.2479  1.0
  Rh  Rh3  4  0.1166  0.5000  0.0142  1.0
  Rh  Rh4  4  0.2086  0.0000  0.3213  1.0
]