data_[Nd2Ho16Sc4]
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 [Immm]
_cell_length_a [5.3521]
_cell_length_b [8.1170]
_cell_length_c [15.5751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd(Ho4Sc)2]
_chemical_formula_sum '[Nd2 Ho16 Sc4]'
_cell_volume [676.6326]
_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  0.0000  0.5000  0.5000  1
  Ho  Ho1  8  0.0000  0.2051  0.3568  1
  Ho  Ho2  4  0.0000  0.0000  0.1645  1
  Ho  Ho3  4  0.0000  0.2999  0.0000  1
  Sc  Sc4  4  0.0000  0.5000  0.1998  1
]