data_[Sm3Y18Ho36]
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-3]
_cell_length_a [11.9076]
_cell_length_b [11.9076]
_cell_length_c [15.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm(YHo2)6]
_chemical_formula_sum '[Sm3 Y18 Ho36]'
_cell_volume [1852.6036]
_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  3  0.0000  0.0000  0.0000  1
  Y  Y1  18  0.0079  0.5869  0.6780  1
  Ho  Ho2  18  0.0215  0.1823  0.1923  1
  Ho  Ho3  18  0.0397  0.1880  0.4161  1
]