data_[Nd2Y4Sc2]
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 [Cm]
_cell_length_a [12.8025]
_cell_length_b [3.6078]
_cell_length_c [6.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdY2Sc]
_chemical_formula_sum '[Nd2 Y4 Sc2]'
_cell_volume [250.1419]
_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  0.4840  0.0000  0.0398  1
  Y  Y1  2  0.2417  0.0000  0.4518  1
  Y  Y2  2  0.4976  0.5000  0.5514  1
  Sc  Sc3  2  0.2403  0.5000  0.9571  1
]