data_[Nd12Mg20Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.0909]
_cell_length_b [13.0195]
_cell_length_c [6.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd3Mg5Rh2]
_chemical_formula_sum '[Nd12 Mg20 Rh8]'
_cell_volume [999.8037]
_cell_formula_units_Z [4]
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  8  0.2451  0.1665  0.0000  1
  Nd  Nd1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  8  0.0000  0.2678  0.2500  1
  Mg  Mg3  8  0.1806  0.4211  0.0000  1
  Mg  Mg4  4  0.0000  0.5000  0.2500  1
  Rh  Rh5  8  0.1261  0.1526  0.5000  1
]