data_[Nd6Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4631]
_cell_length_b [3.4660]
_cell_length_c [9.6682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Sc4]
_chemical_formula_sum '[Nd6 Sc8]'
_cell_volume [435.9073]
_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  0.2076  0.5000  0.6535  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.0104  0.0000  0.6615  1
  Sc  Sc3  4  0.1642  0.5000  0.9722  1
]