data_[Sc6U6Ni45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3220]
_cell_length_b [8.3220]
_cell_length_c [12.6193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc2U2Ni15]
_chemical_formula_sum '[Sc6 U6 Ni45]'
_cell_volume [756.8737]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3651  1
  U  U1  6  0.0000  0.0000  0.0981  1
  Ni  Ni2  18  0.0000  0.3250  0.0000  1
  Ni  Ni3  18  0.0078  0.5039  0.1607  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]