data_[Nd20Y2Ho8]
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
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0288]
_cell_length_b [10.0288]
_cell_length_c [10.9043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd10YHo4]
_chemical_formula_sum '[Nd20 Y2 Ho8]'
_cell_volume [1096.7177]
_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  16  0.1199  0.2272  0.8334  1
  Nd  Nd1  4  0.0000  0.5000  0.2500  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Ho  Ho3  8  0.0563  0.2799  0.5000  1
]