data_[Sc16Cd2Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0835]
_cell_length_b [12.2650]
_cell_length_c [4.8768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8CdCo2]
_chemical_formula_sum '[Sc16 Cd2 Co4]'
_cell_volume [470.7304]
_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  0.1973  0.1329  0.0766  1.0
  Sc  Sc1  4  0.0000  0.2510  0.5000  1.0
  Sc  Sc2  4  0.1157  0.5000  0.3035  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Co  Co4  4  0.0000  0.3129  0.0000  1.0
]