data_[Nd8Y10Sc4]
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 [18.5579]
_cell_length_b [5.4400]
_cell_length_c [7.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Y5Sc2]
_chemical_formula_sum '[Nd8 Y10 Sc4]'
_cell_volume [704.8372]
_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  0.0597  0.0000  0.6988  1
  Nd  Nd1  4  0.1817  0.5000  0.8754  1
  Y  Y2  4  0.1286  0.0000  0.1948  1
  Y  Y3  4  0.2498  0.5000  0.3655  1
  Y  Y4  2  0.0000  0.5000  0.0000  1
  Sc  Sc5  4  0.0761  0.5000  0.4378  1
]