data_[Nd16Ho6Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9751]
_cell_length_b [11.7275]
_cell_length_c [6.1041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ho3Sc2]
_chemical_formula_sum '[Nd16 Ho6 Sc4]'
_cell_volume [853.4772]
_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  8  0.1676  0.2510  0.6577  1
  Nd  Nd1  4  0.0557  0.5000  0.7897  1
  Nd  Nd2  4  0.1507  0.0000  0.0686  1
  Ho  Ho3  4  0.0000  0.2515  0.0000  1
  Ho  Ho4  2  0.0000  0.0000  0.5000  1
  Sc  Sc5  4  0.2089  0.5000  0.3490  1
]