data_KNa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.56
_cell_angle_alpha   113.51
_cell_angle_beta   113.51
_cell_angle_gamma   55.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Te
_chemical_formula_sum   'K1 Na2 Te1'
_cell_volume   160.35
_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  0.63  0.0  0.89  1.0
  Na  Na1  1  0.98  0.0  0.68  1.0
  Na  Na2  1  0.29  0.0  0.53  1.0
  Te  Te3  1  0.24  0.0  0.03  1.0

data_KNa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.37
_cell_length_c   7.32
_cell_angle_alpha   71.26
_cell_angle_beta   70.05
_cell_angle_gamma   62.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Te
_chemical_formula_sum   'K1 Na2 Te1'
_cell_volume   160.35
_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  0.73  0.89  1.0
  Na  Na1  1  0.0  0.3  0.68  1.0
  Na  Na2  1  0.0  0.77  0.53  1.0
  Te  Te3  1  0.0  0.22  0.03  1.0

K Na Na Te
K Na Na Te 0 2 o o o 0 1 - o o 0 1 o o o 0 3 o o + 0 3 + o + 1 2 + o o 1 3 + o + 