data_[Nd12Mg4Rh8]
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 [C2/m]
_cell_length_a [16.1600]
_cell_length_b [4.2450]
_cell_length_c [10.7994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3MgRh2]
_chemical_formula_sum '[Nd12 Mg4 Rh8]'
_cell_volume [670.2410]
_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  4  0.0485  0.0000  0.2286  1
  Nd  Nd1  4  0.1564  0.5000  0.0053  1
  Nd  Nd2  4  0.2119  0.0000  0.6064  1
  Mg  Mg3  4  0.0666  0.5000  0.6490  1
  Rh  Rh4  4  0.1171  0.5000  0.4219  1
  Rh  Rh5  4  0.1455  0.0000  0.8255  1
]