data_[Sc24In4Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8023]
_cell_length_b [8.8958]
_cell_length_c [9.4042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6InFe2]
_chemical_formula_sum '[Sc24 In4 Fe8]'
_cell_volume [736.3845]
_cell_formula_units_Z [4]
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
[
  Sc  Sc0  8  0.0000  0.2215  0.2334  1
  Sc  Sc1  8  0.2044  0.5000  0.1879  1
  Sc  Sc2  8  0.2115  0.3062  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Fe  Fe5  4  0.0000  0.3776  0.0000  1
  Fe  Fe6  4  0.0000  0.5000  0.3864  1
]