data_[Sc24Ga4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.7397]
_cell_length_b [8.8218]
_cell_length_c [9.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6GaNi2]
_chemical_formula_sum '[Sc24 Ga4 Ni8]'
_cell_volume [712.5652]
_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  0.2014  0.2374  1
  Sc  Sc1  8  0.2028  0.5000  0.1744  1
  Sc  Sc2  8  0.2178  0.3167  0.5000  1
  Ga  Ga3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  2  0.0000  0.0000  0.5000  1
  Ni  Ni5  4  0.0000  0.3505  0.0000  1
  Ni  Ni6  4  0.0000  0.5000  0.3721  1
]