data_[Mg34Al22Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4596]
_cell_length_b [14.8708]
_cell_length_c [8.9280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg17Al11Rh]
_chemical_formula_sum '[Mg34 Al22 Rh2]'
_cell_volume [1139.4565]
_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
[
  Mg  Mg0  4  0.0160  0.3014  0.3159  1
  Mg  Mg1  4  0.0457  0.3617  0.0019  1
  Mg  Mg2  4  0.2009  0.2000  0.6856  1
  Mg  Mg3  4  0.3281  0.3324  0.0066  1
  Mg  Mg4  4  0.3387  0.3454  0.3886  1
  Mg  Mg5  4  0.4413  0.1584  0.5997  1
  Mg  Mg6  2  0.1119  0.5000  0.2838  1
  Mg  Mg7  2  0.3161  0.0000  0.7082  1
  Mg  Mg8  2  0.3487  0.0000  0.3452  1
  Mg  Mg9  2  0.4965  0.5000  0.0047  1
  Mg  Mg10  2  0.4972  0.5000  0.6457  1
  Al  Al11  4  0.0824  0.0903  0.3607  1
  Al  Al12  4  0.1850  0.1831  0.1898  1
  Al  Al13  4  0.2237  0.4078  0.6343  1
  Al  Al14  4  0.2743  0.0896  0.9974  1
  Al  Al15  4  0.4970  0.3175  0.8150  1
  Al  Al16  2  0.1403  0.5000  0.8379  1
  Rh  Rh17  2  0.3227  0.5000  0.1835  1
]