data_[Zr8Sc4Al4]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [5.0683]
_cell_length_b [10.7748]
_cell_length_c [6.2324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Zr2ScAl]
_chemical_formula_sum '[Zr8 Sc4 Al4]'
_cell_volume [340.3505]
_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  4  0.2500  0.0833  0.8186  1.0
  Zr  Zr1  4  0.2500  0.3258  0.0671  1.0
  Sc  Sc2  4  0.2500  0.0862  0.3076  1.0
  Al  Al3  4  0.2500  0.3330  0.5642  1.0
]