data_[Sc24Ni10Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.7335]
_cell_length_b [8.8219]
_cell_length_c [9.2921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc12Ni5Sb]
_chemical_formula_sum '[Sc24 Ni10 Sb2]'
_cell_volume [715.9270]
_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
[
  Sc  Sc0  8  0.0000  0.1973  0.2187  1
  Sc  Sc1  8  0.1990  0.5000  0.1793  1
  Sc  Sc2  8  0.2144  0.3193  0.5000  1
  Ni  Ni3  4  0.0000  0.3571  0.0000  1
  Ni  Ni4  4  0.0000  0.5000  0.3708  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  Sb  Sb6  2  0.0000  0.0000  0.5000  1
]