data_[Pr36Dy3Ho21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.7150]
_cell_length_b [19.7150]
_cell_length_c [6.2764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr12DyHo7]
_chemical_formula_sum '[Pr36 Dy3 Ho21]'
_cell_volume [2112.7098]
_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
[
  Pr  Pr0  18  0.0000  0.4118  0.5000  1
  Pr  Pr1  18  0.0982  0.5491  0.9673  1
  Dy  Dy2  3  0.0000  0.0000  0.0000  1
  Ho  Ho3  18  0.0814  0.1627  0.7950  1
  Ho  Ho4  3  0.0000  0.0000  0.5000  1
]