data_[Sn48Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9173]
_cell_length_b [12.0396]
_cell_length_c [9.6890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn4Rh]
_chemical_formula_sum '[Sn48 Rh12]'
_cell_volume [1464.1540]
_cell_formula_units_Z [12]
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
[
  Sn  Sn0  8  0.0279  0.3793  0.9346  1
  Sn  Sn1  8  0.0338  0.1383  0.0528  1
  Sn  Sn2  8  0.1286  0.0002  0.3605  1
  Sn  Sn3  8  0.2014  0.2459  0.7816  1
  Sn  Sn4  8  0.2143  0.4966  0.2963  1
  Sn  Sn5  4  0.0000  0.3307  0.2500  1
  Sn  Sn6  4  0.2500  0.2500  0.5000  1
  Rh  Rh7  8  0.1478  0.4363  0.5055  1
  Rh  Rh8  4  0.0000  0.1928  0.7500  1
]