data_[Nd18Y3Ho36]
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 [R-3m]
_cell_length_a [11.1133]
_cell_length_b [11.1133]
_cell_length_c [17.5184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd6YHo12]
_chemical_formula_sum '[Nd18 Y3 Ho36]'
_cell_volume [1873.7378]
_cell_formula_units_Z [3]
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  18  0.0681  0.5340  0.7670  1
  Y  Y1  3  0.0000  0.0000  0.0000  1
  Ho  Ho2  18  0.1011  0.5506  0.4137  1
  Ho  Ho3  18  0.1059  0.8941  0.4077  1
]