data_[Sc24Ni8Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8144]
_cell_length_b [8.9379]
_cell_length_c [9.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6Ni2Sn]
_chemical_formula_sum '[Sc24 Ni8 Sn4]'
_cell_volume [744.6501]
_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  0.2124  0.2334  1
  Sc  Sc1  8  0.1994  0.5000  0.1768  1
  Sc  Sc2  8  0.2071  0.3143  0.5000  1
  Ni  Ni3  4  0.0000  0.3539  0.0000  1
  Ni  Ni4  4  0.0000  0.5000  0.3705  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
  Sn  Sn6  2  0.0000  0.0000  0.5000  1
]