data_[Sm16Y6Er2]
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/m]
_cell_length_a [7.0078]
_cell_length_b [11.9764]
_cell_length_c [9.8162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Y3Er]
_chemical_formula_sum '[Sm16 Y6 Er2]'
_cell_volume [798.6707]
_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  0.0726  0.2465  0.8344  1
  Sm  Sm1  4  0.1778  0.0000  0.6637  1
  Sm  Sm2  4  0.1778  0.5000  0.6699  1
  Y  Y3  4  0.2500  0.2500  0.5000  1
  Y  Y4  2  0.0000  0.5000  0.0000  1
  Er  Er5  2  0.0000  0.0000  0.0000  1
]