data_K7Zn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   48.54
_cell_angle_beta   48.54
_cell_angle_gamma   48.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K7Zn6
_chemical_formula_sum   'K7 Zn6'
_cell_volume   592.78
_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  0.1  0.1  0.82  1.0
  K  K1  1  0.0  0.8  0.82  1.0
  K  K2  1  0.9  0.1  0.82  1.0
  K  K3  1  0.9  0.9  0.85  1.0
  K  K4  1  0.1  0.9  0.85  1.0
  K  K5  1  0.0  0.2  0.85  1.0
  K  K6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.0  0.11  1.0
  Zn  Zn8  1  0.0  0.0  0.57  1.0
  Zn  Zn9  1  0.0  0.0  0.69  1.0
  Zn  Zn10  1  0.0  0.0  0.98  1.0
  Zn  Zn11  1  0.0  0.0  0.49  1.0
  Zn  Zn12  1  0.0  0.0  0.18  1.0

data_K7Zn6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   10.48
_cell_angle_alpha   65.73
_cell_angle_beta   65.73
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K7Zn6
_chemical_formula_sum   'K7 Zn6'
_cell_volume   592.78
_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  0.0  0.0  1.0
  K  K1  1  0.1  0.15  0.65  1.0
  K  K2  1  0.1  0.15  0.85  1.0
  K  K3  1  0.2  0.18  0.63  1.0
  K  K4  1  0.8  0.15  0.05  1.0
  K  K5  1  0.9  0.18  0.82  1.0
  K  K6  1  0.9  0.18  0.02  1.0
  Zn  Zn7  1  0.0  0.02  0.98  1.0
  Zn  Zn8  1  0.0  0.31  0.69  1.0
  Zn  Zn9  1  0.0  0.43  0.57  1.0
  Zn  Zn10  1  0.0  0.51  0.49  1.0
  Zn  Zn11  1  0.0  0.82  0.18  1.0
  Zn  Zn12  1  0.0  0.89  0.11  1.0

K K K K K K K Zn Zn Zn Zn Zn Zn
K K K K K K K Zn Zn Zn Zn Zn Zn 0 5 o o o 0 2 - o o 0 4 o - o 1 3 - o o 1 9 o + o 2 3 o - o 2 9 + o o 2 6 + o + 2 10 + o o 2 4 + - o 2 5 + o o 3 4 + o o 3 9 + + o 4 9 o + o 4 6 o + + 4 10 o + o 6 10 o o - 7 12 o o o 8 11 o o o 8 9 o o o 