data_[Sc6Ge6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.9592]
_cell_length_b [3.7882]
_cell_length_c [6.7051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ScGeRh]
_chemical_formula_sum '[Sc6 Ge6 Rh6]'
_cell_volume [303.7674]
_cell_formula_units_Z [6]
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
[
  Sc  Sc0  4  0.0391  0.0000  0.7416  1
  Sc  Sc1  2  0.2500  0.0000  0.1478  1
  Ge  Ge2  4  0.0971  0.5000  0.0582  1
  Ge  Ge3  2  0.2500  0.0000  0.5602  1
  Rh  Rh4  4  0.1259  0.5000  0.4335  1
  Rh  Rh5  2  0.2500  0.5000  0.8014  1
]