data_K2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   45.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlZn
_chemical_formula_sum   'K2 Al1 Zn1'
_cell_volume   152.45
_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  K1  1  0.4  0.0  0.2  1.0
  K  K2  1  0.0  0.0  1.0  1.0
  Al  Al0  1  0.0  0.0  0.8  1.0
  Zn  Zn3  1  0.4  0.0  0.57  1.0

data_K2AlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   5.16
_cell_length_c   6.67
_cell_angle_alpha   112.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlZn
_chemical_formula_sum   'K2 Al1 Zn1'
_cell_volume   152.45
_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  1.0  1.0  1.0
  K  K1  1  0.6  0.2  0.2  1.0
  Al  Al2  1  0.0  0.8  0.8  1.0
  Zn  Zn3  1  0.6  0.57  0.57  1.0

K K Al Zn
K K Al Zn 0 1 o o - 0 3 o o o 1 2 o o o 2 3 o o o 