data_[Ta8Al8Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3410]
_cell_length_b [5.0785]
_cell_length_c [8.6781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TaAlZn]
_chemical_formula_sum '[Ta8 Al8 Zn8]'
_cell_volume [367.6058]
_cell_formula_units_Z [8]
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
[
  Ta  Ta0  4  0.1910  0.0000  0.6636  1.0
  Ta  Ta1  4  0.3162  0.0000  0.3346  1.0
  Al  Al2  4  0.2428  0.0000  0.9979  1.0
  Al  Al3  4  0.5000  0.2427  0.5883  1.0
  Zn  Zn4  4  0.0000  0.2404  0.4132  1.0
  Zn  Zn5  2  0.0000  0.0000  0.1726  1.0
  Zn  Zn6  2  0.5000  0.0000  0.8321  1.0
]