data_[Zr4Ta4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.5908]
_cell_length_b [5.5908]
_cell_length_c [5.7406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [ZrTa]
_chemical_formula_sum '[Zr4 Ta4]'
_cell_volume [179.4336]
_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  0.1900  0.8100  0.0000  1
  Ta  Ta1  4  0.1778  0.8222  0.5000  1
]