data_[Sc9Cu3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8084]
_cell_length_b [4.8084]
_cell_length_c [23.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3CuNi8]
_chemical_formula_sum '[Sc9 Cu3 Ni24]'
_cell_volume [472.0357]
_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  3  0.0000  0.0000  0.0093  1.0
  Sc  Sc1  3  0.0000  0.0000  0.4931  1.0
  Sc  Sc2  3  0.0000  0.0000  0.6232  1.0
  Cu  Cu3  3  0.0000  0.0000  0.1286  1.0
  Ni  Ni4  9  0.1674  0.3347  0.8951  1.0
  Ni  Ni5  9  0.1679  0.3358  0.3955  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3120  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8119  1.0
]