data_[Sm10Y16Er2]
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 [I-4]
_cell_length_a [9.6374]
_cell_length_b [9.6374]
_cell_length_c [10.1283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sm5Y8Er]
_chemical_formula_sum '[Sm10 Y16 Er2]'
_cell_volume [940.7159]
_cell_formula_units_Z [2]
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  0.1093  0.2139  0.0772  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Y  Y2  8  0.0714  0.3241  0.4058  1
  Y  Y3  8  0.0844  0.1765  0.7473  1
  Er  Er4  2  0.0000  0.5000  0.7500  1
]