data_K5InPb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.39
_cell_length_b   13.39
_cell_length_c   13.39
_cell_angle_alpha   30.16
_cell_angle_beta   30.16
_cell_angle_gamma   30.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5InPb8
_chemical_formula_sum   'K5 In1 Pb8'
_cell_volume   536.42
_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  0.0  0.0  0.97  1.0
  K  K2  1  0.0  0.0  0.73  1.0
  K  K3  1  0.0  0.0  0.0  1.0
  K  K4  1  0.0  0.0  0.57  1.0
  K  K5  1  0.0  0.0  0.33  1.0
  In  In0  1  0.0  0.0  0.15  1.0
  Pb  Pb6  1  0.0  0.97  0.68  1.0
  Pb  Pb7  1  0.29  0.01  0.68  1.0
  Pb  Pb8  1  0.71  0.01  0.68  1.0
  Pb  Pb9  1  0.0  0.0  0.07  1.0
  Pb  Pb10  1  0.0  0.0  0.23  1.0
  Pb  Pb11  1  0.29  0.99  0.62  1.0
  Pb  Pb12  1  0.71  0.99  0.62  1.0
  Pb  Pb13  1  0.0  0.03  0.62  1.0

data_K5InPb8
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   13.39
_cell_angle_alpha   74.92
_cell_angle_beta   74.92
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5InPb8
_chemical_formula_sum   'K5 In1 Pb8'
_cell_volume   536.42
_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  0.0  0.03  0.97  1.0
  K  K2  1  0.0  0.27  0.73  1.0
  K  K3  1  0.0  0.43  0.57  1.0
  K  K4  1  0.0  0.67  0.33  1.0
  In  In5  1  0.0  0.85  0.15  1.0
  Pb  Pb6  1  0.0  0.77  0.23  1.0
  Pb  Pb7  1  0.0  0.93  0.07  1.0
  Pb  Pb8  1  0.01  0.38  0.32  1.0
  Pb  Pb9  1  0.01  0.38  0.9  1.0
  Pb  Pb10  1  0.03  0.32  0.65  1.0
  Pb  Pb11  1  0.97  0.38  0.65  1.0
  Pb  Pb12  1  0.99  0.32  0.99  1.0
  Pb  Pb13  1  0.99  0.32  0.4  1.0

K K K K K In Pb Pb Pb Pb Pb Pb Pb Pb
K K K K K In Pb Pb Pb Pb Pb Pb Pb Pb 0 2 o o + 1 6 o - o 1 13 o o o 2 9 o o o 3 6 o - o 3 13 o o o 4 10 o o o 5 9 o o o 5 10 o o o 6 13 o + o 7 11 o - o 8 12 o - o 