data_[Sm45Er6Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1049]
_cell_length_b [11.1049]
_cell_length_c [17.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm15(ErSc)2]
_chemical_formula_sum '[Sm45 Er6 Sc6]'
_cell_volume [1911.5204]
_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  0.2926  0.0000  1
  Sm  Sm1  18  0.0210  0.5105  0.1322  1
  Sm  Sm2  9  0.0000  0.5000  0.5000  1
  Er  Er3  6  0.0000  0.0000  0.3119  1
  Sc  Sc4  6  0.0000  0.0000  0.0891  1
]