data_[Sc10Cd4Ni4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.8802]
_cell_length_b [10.8802]
_cell_length_c [3.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc5Cd2Ni2Ru]
_chemical_formula_sum '[Sc10 Cd4 Ni4 Ru2]'
_cell_volume [383.5178]
_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  8  0.0681  0.1950  0.5000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd2  4  0.1751  0.6751  0.0000  1.0
  Ni  Ni3  4  0.1313  0.3687  0.0000  1.0
  Ru  Ru4  2  0.0000  0.0000  0.0000  1.0
]