data_[Na1Pa2Ni2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1863]
_cell_length_b [7.2942]
_cell_length_c [7.4045]
_cell_angle_alpha [62.7834]
_cell_angle_beta [61.3154]
_cell_angle_gamma [62.0005]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaPa2(NiSe3)2]
_chemical_formula_sum '[Na1 Pa2 Ni2 Se6]'
_cell_volume [286.8357]
_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
[
  Na  Na0  1  0.5000  0.5000  0.5000  1
  Pa  Pa1  2  0.1664  0.5064  0.1682  1
  Ni  Ni2  2  0.0344  0.9374  0.8490  1
  Se  Se3  2  0.0569  0.7476  0.4337  1
  Se  Se4  2  0.2269  0.2476  0.9380  1
  Se  Se5  2  0.4159  0.7499  0.7831  1
]