data_[Zr12Sc8Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.3576]
_cell_length_b [11.8648]
_cell_length_c [4.9993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr3Sc2Cd]
_chemical_formula_sum '[Zr12 Sc8 Cd4]'
_cell_volume [555.0515]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.1665  0.4483  0.7500  1
  Zr  Zr1  4  0.0000  0.0547  0.2500  1
  Sc  Sc2  8  0.1662  0.1801  0.7500  1
  Cd  Cd3  4  0.0000  0.3190  0.2500  1
]