data_[Nd6Sn18Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6420]
_cell_length_b [4.3623]
_cell_length_c [10.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSn3Rh2]
_chemical_formula_sum '[Nd6 Sn18 Rh12]'
_cell_volume [795.0463]
_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
[
  Nd  Nd0  4  0.1477  0.0000  0.6910  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0506  0.0000  0.3480  1
  Sn  Sn3  4  0.1339  0.5000  0.1815  1
  Sn  Sn4  4  0.1515  0.5000  0.9221  1
  Sn  Sn5  4  0.2279  0.0000  0.3718  1
  Sn  Sn6  2  0.0000  0.5000  0.5000  1
  Rh  Rh7  4  0.0099  0.5000  0.7693  1
  Rh  Rh8  4  0.1428  0.5000  0.4397  1
  Rh  Rh9  4  0.2018  0.0000  0.0947  1
]