data_[Na6Hf4Pa2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7023]
_cell_length_b [11.6248]
_cell_length_c [7.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Hf2PaSe6]
_chemical_formula_sum '[Na6 Hf4 Pa2 Se12]'
_cell_volume [564.7143]
_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
[
  Na  Na0  4  0.0000  0.1629  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Hf  Hf2  4  0.0000  0.3325  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2497  0.1733  0.2284  1
  Se  Se5  4  0.2289  0.5000  0.2274  1
]