data_[Sm10Y2In12]
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 [Immm]
_cell_length_a [5.4195]
_cell_length_b [7.5656]
_cell_length_c [16.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm5YIn6]
_chemical_formula_sum '[Sm10 Y2 In12]'
_cell_volume [667.2956]
_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  0.0000  0.0000  0.3342  1.0
  Sm  Sm1  4  0.0000  0.5000  0.3312  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  In  In4  8  0.0000  0.2469  0.8349  1.0
  In  In5  4  0.0000  0.2559  0.5000  1.0
]