data_[Hf1Be8Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4433]
_cell_length_b [4.4433]
_cell_length_c [7.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfBe8Tc3]
_chemical_formula_sum '[Hf1 Be8 Tc3]'
_cell_volume [125.6818]
_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  1  0.0000  0.0000  0.5637  1
  Be  Be1  3  0.1654  0.3307  0.2419  1
  Be  Be2  3  0.5026  0.4974  0.7615  1
  Be  Be3  1  0.3333  0.6667  0.0023  1
  Be  Be4  1  0.3333  0.6667  0.4955  1
  Tc  Tc5  1  0.0000  0.0000  0.9416  1
  Tc  Tc6  1  0.6667  0.3333  0.0640  1
  Tc  Tc7  1  0.6667  0.3333  0.4229  1
]