data_[K2Na2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5775]
_cell_length_b [6.0860]
_cell_length_c [9.5321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNaPSe4]
_chemical_formula_sum '[K2 Na2 P2 Se8]'
_cell_volume [427.0043]
_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
[
  K  K0  2  0.2384  0.7500  0.0414  1.0
  Na  Na1  2  0.2678  0.7500  0.5625  1.0
  P  P2  2  0.2327  0.2500  0.3241  1.0
  Se  Se3  4  0.0086  0.5068  0.2713  1.0
  Se  Se4  2  0.3714  0.2500  0.5510  1.0
  Se  Se5  2  0.4097  0.2500  0.1706  1.0
]