data_K2NaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NaZn
_chemical_formula_sum   'K2 Na1 Zn1'
_cell_volume   176.99
_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  0.93  0.0  0.19  1.0
  K  K1  1  0.93  0.0  0.92  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.06  1.0

data_K2NaZn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2NaZn
_chemical_formula_sum   'K2 Na1 Zn1'
_cell_volume   177.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.93  0.0  0.19  1.0
  K  K1  1  0.93  0.0  0.92  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.06  1.0

K K Na Zn
K K Na Zn 0 3 + o o 1 2 + o + 2 3 o o o 