data_[Sm36Y3Ho21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [19.5780]
_cell_length_b [19.5780]
_cell_length_c [6.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm12YHo7]
_chemical_formula_sum '[Sm36 Y3 Ho21]'
_cell_volume [2046.6218]
_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
[
  Sm  Sm0  18  0.0000  0.4134  0.5000  1
  Sm  Sm1  18  0.0978  0.5489  0.9606  1
  Y  Y2  3  0.0000  0.0000  0.0000  1
  Ho  Ho3  18  0.0817  0.9183  0.7913  1
  Ho  Ho4  3  0.0000  0.0000  0.5000  1
]