data_[Sm16Sc4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9043]
_cell_length_b [4.9691]
_cell_length_c [7.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Sc2In]
_chemical_formula_sum '[Sm16 Sc4 In2]'
_cell_volume [680.8843]
_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  0.0466  0.0000  0.7260  1.0
  Sm  Sm1  4  0.0938  0.5000  0.4458  1.0
  Sm  Sm2  4  0.1383  0.0000  0.1861  1.0
  Sm  Sm3  4  0.1810  0.5000  0.9106  1.0
  Sc  Sc4  4  0.2253  0.0000  0.6311  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]