data_[Sm16Y4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2716]
_cell_length_b [5.0089]
_cell_length_c [8.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Y2In]
_chemical_formula_sum '[Sm16 Y4 In2]'
_cell_volume [711.2590]
_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  0.0443  0.0000  0.7251  1.0
  Sm  Sm1  4  0.0898  0.5000  0.4410  1.0
  Sm  Sm2  4  0.1353  0.0000  0.1772  1.0
  Sm  Sm3  4  0.1793  0.5000  0.9084  1.0
  Y  Y4  4  0.2244  0.0000  0.6343  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]