data_[Nd8Ho8Sc20]
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 [Ima2]
_cell_length_a [11.7737]
_cell_length_b [8.4547]
_cell_length_c [10.4220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Nd2Ho2Sc5]
_chemical_formula_sum '[Nd8 Ho8 Sc20]'
_cell_volume [1037.4345]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0471  1
  Nd  Nd1  4  0.2500  0.1016  0.1583  1
  Ho  Ho2  8  0.1053  0.3745  0.9718  1
  Sc  Sc3  8  0.1027  0.7007  0.7899  1
  Sc  Sc4  8  0.1250  0.0653  0.7779  1
  Sc  Sc5  4  0.2500  0.6995  0.0512  1
]