data_[Hf2Pa6S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.7066]
_cell_length_b [7.6050]
_cell_length_c [6.5999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HfPa3S4]
_chemical_formula_sum '[Hf2 Pa6 S8]'
_cell_volume [318.0227]
_cell_formula_units_Z [2]
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  2  0.0000  0.1302  0.2500  1
  Pa  Pa1  2  0.0000  0.3746  0.7500  1
  Pa  Pa2  2  0.5000  0.1248  0.7500  1
  Pa  Pa3  2  0.5000  0.3741  0.2500  1
  S  S4  4  0.2329  0.1159  0.9985  1
  S  S5  4  0.2423  0.3680  0.4932  1
]