data_[Nd6Sm4Y12Sc2]
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
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2370]
_cell_length_b [10.7852]
_cell_length_c [11.8870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Sm2Y6Sc]
_chemical_formula_sum '[Nd6 Sm4 Y12 Sc2]'
_cell_volume [787.3896]
_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  4  0.0000  0.1666  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3337  0.0000  1.0
  Y  Y3  8  0.2466  0.1651  0.2458  1.0
  Y  Y4  4  0.2490  0.0000  0.7538  1.0
  Sc  Sc5  2  0.0000  0.0000  0.0000  1.0
]