data_[Nd12Y2Sc4]
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 [C2/m]
_cell_length_a [12.0398]
_cell_length_b [5.6495]
_cell_length_c [10.3357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6YSc2]
_chemical_formula_sum '[Nd12 Y2 Sc4]'
_cell_volume [580.9080]
_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  0.0610  0.5000  0.8874  1.0
  Nd  Nd1  4  0.1667  0.0000  0.1642  1.0
  Nd  Nd2  4  0.2165  0.0000  0.5542  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc4  4  0.1115  0.0000  0.7759  1.0
]