data_[Dy3Ho36Sc21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6034]
_cell_length_b [14.6034]
_cell_length_c [9.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [DyHo12Sc7]
_chemical_formula_sum '[Dy3 Ho36 Sc21]'
_cell_volume [1755.4242]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.0000  1
  Ho  Ho1  18  0.0365  0.2559  0.5812  1
  Ho  Ho2  18  0.0401  0.1901  0.2568  1
  Sc  Sc3  18  0.0731  0.2467  0.9314  1
  Sc  Sc4  3  0.0000  0.0000  0.5000  1
]