data_[Sm8Sc2In4]
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 [P2_1/m]
_cell_length_a [8.3730]
_cell_length_b [6.6206]
_cell_length_c [8.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm4ScIn2]
_chemical_formula_sum '[Sm8 Sc2 In4]'
_cell_volume [414.2495]
_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  0.4416  0.5024  0.7652  1
  Sm  Sm1  2  0.0318  0.2500  0.5308  1
  Sm  Sm2  2  0.1025  0.7500  0.9001  1
  Sc  Sc3  2  0.2569  0.7500  0.3366  1
  In  In4  2  0.1856  0.2500  0.9499  1
  In  In5  2  0.3279  0.2500  0.3909  1
]