data_[Sm2Sc2In8]
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 [Amm2]
_cell_length_a [4.6060]
_cell_length_b [4.5705]
_cell_length_c [14.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmScIn4]
_chemical_formula_sum '[Sm2 Sc2 In8]'
_cell_volume [295.8852]
_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  2  0.0000  0.0000  0.3445  1
  Sc  Sc1  2  0.0000  0.0000  0.6540  1
  In  In2  2  0.0000  0.0000  0.0065  1
  In  In3  2  0.5000  0.0000  0.1705  1
  In  In4  2  0.5000  0.0000  0.5056  1
  In  In5  2  0.5000  0.0000  0.8189  1
]