data_KNa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.16
_cell_angle_alpha   105.94
_cell_angle_beta   105.94
_cell_angle_gamma   51.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Se
_chemical_formula_sum   'K1 Na2 Se1'
_cell_volume   155.23
_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
  K  K0  1  0.04  0.0  0.2  1.0
  Na  Na1  1  0.87  0.0  0.89  1.0
  Na  Na2  1  0.42  0.0  0.72  1.0
  Se  Se3  1  0.63  0.0  0.85  1.0

data_KNa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.06
_cell_length_c   8.16
_cell_angle_alpha   105.94
_cell_angle_beta   90.0
_cell_angle_gamma   115.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Se
_chemical_formula_sum   'K1 Na2 Se1'
_cell_volume   155.23
_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
  K  K0  1  0.0  0.96  0.8  1.0
  Na  Na1  1  0.0  0.13  0.11  1.0
  Na  Na2  1  0.0  0.58  0.28  1.0
  Se  Se3  1  0.0  0.37  0.15  1.0

K Na Na Se
K Na Na Se 0 1 - o - 1 3 o o o 2 3 o o o 