data_[Ba8Hf4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8220]
_cell_length_b [7.8220]
_cell_length_c [7.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba2HfTc]
_chemical_formula_sum '[Ba8 Hf4 Tc4]'
_cell_volume [478.5839]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1
  Hf  Hf1  4  0.0000  0.0000  0.5000  1
  Tc  Tc2  4  0.0000  0.0000  0.0000  1
]