data_[Nd12Sm4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6757]
_cell_length_b [4.3030]
_cell_length_c [11.4453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3SmRh2]
_chemical_formula_sum '[Nd12 Sm4 Rh8]'
_cell_volume [716.3569]
_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  0.0559  0.0000  0.2075  1.0
  Nd  Nd1  4  0.1743  0.5000  0.0430  1.0
  Nd  Nd2  4  0.2050  0.0000  0.5851  1.0
  Sm  Sm3  4  0.0717  0.5000  0.6749  1.0
  Rh  Rh4  4  0.1182  0.5000  0.4023  1.0
  Rh  Rh5  4  0.1321  0.0000  0.8555  1.0
]