data_[Hf7Ta9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.6619]
_cell_length_b [7.6619]
_cell_length_c [18.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Hf7Ta9]
_chemical_formula_sum '[Hf7 Ta9]'
_cell_volume [964.2040]
_cell_formula_units_Z [1]
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
[
  Hf  Hf0  6  0.2074  0.4148  0.6060  1
  Hf  Hf1  1  0.0000  0.0000  0.4918  1
  Ta  Ta2  6  0.2087  0.4173  0.3969  1
  Ta  Ta3  3  0.0000  0.5000  0.4970  1
]