data_[Nd12Y6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6967]
_cell_length_b [3.5741]
_cell_length_c [16.9539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6Y3Sc]
_chemical_formula_sum '[Nd12 Y6 Sc2]'
_cell_volume [670.3099]
_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  0.1001  0.2500  0.7563  1
  Nd  Nd1  2  0.1307  0.2500  0.1793  1
  Nd  Nd2  2  0.1586  0.2500  0.3948  1
  Nd  Nd3  2  0.3588  0.7500  0.1192  1
  Nd  Nd4  2  0.3665  0.7500  0.9109  1
  Nd  Nd5  2  0.4050  0.7500  0.5440  1
  Y  Y6  2  0.1192  0.2500  0.9682  1
  Y  Y7  2  0.1254  0.7500  0.5750  1
  Y  Y8  2  0.3700  0.2500  0.7148  1
  Sc  Sc9  2  0.3566  0.7500  0.3233  1
]