data_K2TiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   143.05
_cell_angle_beta   139.73
_cell_angle_gamma   55.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiPb
_chemical_formula_sum   'K2 Ti1 Pb1'
_cell_volume   126.3
_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  0.18  0.0  0.16  1.0
  K  K1  1  0.0  0.37  0.93  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.09  1.0

data_K2TiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.75
_cell_length_c   6.89
_cell_angle_alpha   110.13
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiPb
_chemical_formula_sum   'K2 Ti1 Pb1'
_cell_volume   126.3
_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  0.02  0.84  0.02  1.0
  K  K1  1  0.07  0.44  0.44  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.91  0.91  0.91  1.0

K K Ti Pb