data_[Sc2Zn4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9598]
_cell_length_b [3.1268]
_cell_length_c [5.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScZn2Cd]
_chemical_formula_sum '[Sc2 Zn4 Cd2]'
_cell_volume [151.2185]
_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  2  0.2631  0.0000  0.7824  1
  Zn  Zn1  2  0.0180  0.0000  0.9903  1
  Zn  Zn2  2  0.2324  0.5000  0.2651  1
  Cd  Cd3  2  0.4865  0.0000  0.4622  1
]