data_[Nd18Sm18Sc18]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7885]
_cell_length_b [6.7885]
_cell_length_c [43.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdSmSc]
_chemical_formula_sum '[Nd18 Sm18 Sc18]'
_cell_volume [1734.0859]
_cell_formula_units_Z [18]
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  6  0.0000  0.0000  0.1830  1
  Nd  Nd1  6  0.0000  0.0000  0.2586  1
  Nd  Nd2  6  0.0000  0.0000  0.9572  1
  Sm  Sm3  9  0.0000  0.5000  0.0000  1
  Sm  Sm4  6  0.0000  0.0000  0.3993  1
  Sm  Sm5  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc6  18  0.0461  0.5231  0.7810  1
]