data_[Nd12Sm4Sc2]
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 [C2/m]
_cell_length_a [9.2277]
_cell_length_b [17.9141]
_cell_length_c [3.7099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Sm2Sc]
_chemical_formula_sum '[Nd12 Sm4 Sc2]'
_cell_volume [604.2951]
_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  8  0.1660  0.6702  0.8183  1
  Nd  Nd1  4  0.1817  0.5000  0.3274  1
  Sm  Sm2  4  0.0000  0.1549  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
]