data_[Ta2Al4Zn2]
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 [Cm]
_cell_length_a [10.3647]
_cell_length_b [2.8659]
_cell_length_c [4.8914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaAl2Zn]
_chemical_formula_sum '[Ta2 Al4 Zn2]'
_cell_volume [130.0458]
_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
[
  Ta  Ta0  2  0.4992  0.0000  0.5904  1.0
  Al  Al1  2  0.0017  0.0000  0.0827  1.0
  Al  Al2  2  0.2473  0.0000  0.6636  1.0
  Zn  Zn3  2  0.2518  0.5000  0.1633  1.0
]