data_K2TaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   9.42
_cell_angle_alpha   92.27
_cell_angle_beta   92.27
_cell_angle_gamma   34.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaZn
_chemical_formula_sum   'K2 Ta1 Zn1'
_cell_volume   128.12
_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  0.17  0.0  0.68  1.0
  K  K1  1  0.01  0.0  0.46  1.0
  Ta  Ta2  1  0.34  0.0  0.94  1.0
  Zn  Zn3  1  0.85  0.0  0.03  1.0

data_K2TaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.88
_cell_length_c   9.42
_cell_angle_alpha   92.27
_cell_angle_beta   90.0
_cell_angle_gamma   107.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaZn
_chemical_formula_sum   'K2 Ta1 Zn1'
_cell_volume   128.12
_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  0.83  0.32  1.0
  K  K1  1  0.0  0.99  0.54  1.0
  Ta  Ta2  1  0.0  0.66  0.06  1.0
  Zn  Zn3  1  0.0  0.15  0.97  1.0

K K Ta Zn
K K Ta Zn 0 1 o o o 0 2 o o o 2 2 + - o 2 3 - o + 2 3 o o + 3 3 + - o 