data_[Al6Rh14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3966]
_cell_length_b [4.1251]
_cell_length_c [5.2483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3Rh7]
_chemical_formula_sum '[Al6 Rh14]'
_cell_volume [280.5072]
_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
[
  Al  Al0  4  0.1930  0.0000  0.6528  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  4  0.0832  0.5000  0.8597  1.0
  Rh  Rh3  4  0.1206  0.5000  0.3844  1.0
  Rh  Rh4  4  0.2076  0.0000  0.1431  1.0
  Rh  Rh5  2  0.0000  0.0000  0.5000  1.0
]