data_[Sm8Y20Er8]
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 [Ima2]
_cell_length_a [14.9320]
_cell_length_b [11.7613]
_cell_length_c [6.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Sm2Y5Er2]
_chemical_formula_sum '[Sm8 Y20 Er8]'
_cell_volume [1190.8311]
_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  4  0.0000  0.0000  0.0088  1
  Sm  Sm1  4  0.2500  0.0107  0.1126  1
  Y  Y2  8  0.0521  0.7439  0.7057  1
  Y  Y3  8  0.1429  0.2362  0.8937  1
  Y  Y4  4  0.2500  0.7482  0.3985  1
  Er  Er5  8  0.1273  0.5044  0.0587  1
]