data_KTa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.8
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Pb
_chemical_formula_sum   'K1 Ta2 Pb1'
_cell_volume   113.35
_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
  Ta  Ta2  1  0.53  0.4  0.11  1.0
  Ta  Ta3  1  0.53  0.4  0.62  1.0
  Pb  Pb1  1  0.0  0.0  0.87  1.0

data_KTa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.8
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Pb
_chemical_formula_sum   'K1 Ta2 Pb1'
_cell_volume   113.35
_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
  Ta  Ta1  1  0.53  0.4  0.11  1.0
  Ta  Ta2  1  0.53  0.4  0.62  1.0
  Pb  Pb3  1  0.0  0.0  0.87  1.0

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