data_[Zr2Sc4Cd2]
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 [Cm]
_cell_length_a [11.5403]
_cell_length_b [3.2268]
_cell_length_c [5.4832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrSc2Cd]
_chemical_formula_sum '[Zr2 Sc4 Cd2]'
_cell_volume [184.1027]
_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
[
  Zr  Zr0  2  0.4845  0.0000  0.5595  1.0
  Sc  Sc1  2  0.0168  0.0000  0.0916  1.0
  Sc  Sc2  2  0.2476  0.0000  0.6876  1.0
  Cd  Cd3  2  0.2511  0.5000  0.1613  1.0
]