data_[Hf1Pa5Tc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8181]
_cell_length_b [6.6983]
_cell_length_c [8.0198]
_cell_angle_alpha [110.2947]
_cell_angle_beta [100.3052]
_cell_angle_gamma [95.3676]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfPa5Tc6]
_chemical_formula_sum '[Hf1 Pa5 Tc6]'
_cell_volume [235.4161]
_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  0.0000  1
  Pa  Pa1  2  0.3741  0.8503  0.6614  1
  Pa  Pa2  2  0.3755  0.3424  0.6480  1
  Pa  Pa3  1  0.0000  0.5000  0.0000  1
  Tc  Tc4  2  0.0989  0.8953  0.3110  1
  Tc  Tc5  2  0.1021  0.4020  0.3085  1
  Tc  Tc6  2  0.4863  0.7481  0.9972  1
]