data_KPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   132.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPb4
_chemical_formula_sum   'K1 Pb4'
_cell_volume   185.93
_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
  Pb  Pb1  1  0.38  0.67  0.0  1.0
  Pb  Pb2  1  0.67  0.04  0.0  1.0
  Pb  Pb3  1  0.83  0.54  0.63  1.0
  Pb  Pb4  1  0.54  0.17  0.63  1.0

data_KPb4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   80.62
_cell_angle_beta   66.19
_cell_angle_gamma   66.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPb4
_chemical_formula_sum   'K1 Pb4'
_cell_volume   185.93
_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
  Pb  Pb1  1  0.04  0.0  0.63  1.0
  Pb  Pb2  1  0.54  0.63  0.37  1.0
  Pb  Pb3  1  0.67  0.0  0.7  1.0
  Pb  Pb4  1  0.91  0.63  0.3  1.0

K Pb Pb Pb Pb