data_[Sc9Al3Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2574]
_cell_length_b [5.2574]
_cell_length_c [25.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3AlZn8]
_chemical_formula_sum '[Sc9 Al3 Zn24]'
_cell_volume [604.6584]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0038  1.0
  Sc  Sc1  3  0.0000  0.0000  0.4983  1.0
  Sc  Sc2  3  0.0000  0.0000  0.6238  1.0
  Al  Al3  3  0.0000  0.0000  0.1260  1.0
  Zn  Zn4  9  0.0007  0.5003  0.0620  1.0
  Zn  Zn5  9  0.0024  0.5012  0.5624  1.0
  Zn  Zn6  3  0.0000  0.0000  0.3121  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8127  1.0
]