data_[Ta12Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [7.1216]
_cell_length_b [12.9683]
_cell_length_c [4.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TaZn]
_chemical_formula_sum '[Ta12 Zn12]'
_cell_volume [391.2618]
_cell_formula_units_Z [12]
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  0.1226  0.6751  0.2500  1
  Ta  Ta1  4  0.1284  0.5162  0.7500  1
  Ta  Ta2  4  0.3771  0.5048  0.2500  1
  Zn  Zn3  4  0.1466  0.1677  0.7500  1
  Zn  Zn4  4  0.3628  0.1620  0.2500  1
  Zn  Zn5  4  0.4005  0.6704  0.7500  1
]