data_[Nd6Sm2Sc2]
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 [P-1]
_cell_length_a [3.5494]
_cell_length_b [8.8990]
_cell_length_c [11.5079]
_cell_angle_alpha [68.2228]
_cell_angle_beta [89.8857]
_cell_angle_gamma [78.5995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3SmSc]
_chemical_formula_sum '[Nd6 Sm2 Sc2]'
_cell_volume [329.8682]
_cell_formula_units_Z [2]
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  2  0.0227  0.9534  0.1502  1.0
  Nd  Nd1  2  0.3301  0.3422  0.9520  1.0
  Nd  Nd2  2  0.4236  0.1527  0.5691  1.0
  Sm  Sm3  2  0.1244  0.7439  0.7229  1.0
  Sc  Sc4  2  0.2254  0.5475  0.3601  1.0
]