data_[La4Nd12Y6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [6.2925]
_cell_length_b [10.9051]
_cell_length_c [11.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Nd6Y3Sc]
_chemical_formula_sum '[La4 Nd12 Y6 Sc2]'
_cell_volume [810.1047]
_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
[
  La  La0  4  0.0000  0.3333  0.0000  1
  Nd  Nd1  8  0.2472  0.1644  0.2513  1
  Nd  Nd2  4  0.2467  0.0000  0.7482  1
  Y  Y3  4  0.0000  0.1663  0.5000  1
  Y  Y4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]