data_[Sm6Y26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0923]
_cell_length_b [10.1880]
_cell_length_c [10.1882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm3Y13]
_chemical_formula_sum '[Sm6 Y26]'
_cell_volume [1047.5499]
_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  4  0.2495  0.0000  0.9999  1.0
  Sm  Sm1  2  0.0000  0.0000  0.2503  1.0
  Y  Y2  8  0.2501  0.2498  0.7500  1.0
  Y  Y3  4  0.0000  0.2492  0.5001  1.0
  Y  Y4  4  0.2505  0.0000  0.5002  1.0
  Y  Y5  4  0.5000  0.2499  0.4999  1.0
  Y  Y6  2  0.0000  0.0000  0.7496  1.0
  Y  Y7  2  0.5000  0.0000  0.2504  1.0
  Y  Y8  2  0.5000  0.0000  0.7495  1.0
]