data_[Sc8Cd2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9755]
_cell_length_b [3.5020]
_cell_length_c [8.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc4CdNi]
_chemical_formula_sum '[Sc8 Cd2 Ni2]'
_cell_volume [275.9384]
_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  4  0.1209  0.5000  0.8893  1
  Sc  Sc1  4  0.1610  0.0000  0.3222  1
  Cd  Cd2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
]