data_[K2Na4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9260]
_cell_length_b [5.0953]
_cell_length_c [11.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K(NaSe)2]
_chemical_formula_sum '[K2 Na4 Se4]'
_cell_volume [293.8689]
_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  0.3133  0.7500  0.7318  1.0
  Na  Na1  2  0.1382  0.7500  0.1227  1.0
  Na  Na2  2  0.2519  0.2500  0.4998  1.0
  Se  Se3  2  0.2056  0.7500  0.3657  1.0
  Se  Se4  2  0.4094  0.2500  0.0026  1.0
]