data_[Sm16Y12Er8]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.8335]
_cell_length_b [16.9593]
_cell_length_c [7.0775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Sm4Y3Er2]
_chemical_formula_sum '[Sm16 Y12 Er8]'
_cell_volume [1180.3007]
_cell_formula_units_Z [4]
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  8  0.1486  0.3271  0.5000  1.0
  Sm  Sm1  8  0.1647  0.0147  0.5000  1.0
  Y  Y2  8  0.0000  0.1701  0.2500  1.0
  Y  Y3  4  0.0000  0.5000  0.2500  1.0
  Er  Er4  8  0.1866  0.3397  0.0000  1.0
]