data_[Sm12Y8Er20]
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 [C2/c]
_cell_length_a [10.6629]
_cell_length_b [15.6803]
_cell_length_c [9.4636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3Y2Er5]
_chemical_formula_sum '[Sm12 Y8 Er20]'
_cell_volume [1309.9708]
_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  0.1460  0.3760  0.5477  1
  Sm  Sm1  4  0.0000  0.2680  0.7500  1
  Y  Y2  8  0.1517  0.1192  0.0477  1
  Er  Er3  8  0.2418  0.1154  0.7339  1
  Er  Er4  4  0.0000  0.0285  0.2500  1
  Er  Er5  4  0.0000  0.2293  0.2500  1
  Er  Er6  4  0.0000  0.4758  0.7500  1
]