data_KPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   155.13
_cell_angle_beta   122.64
_cell_angle_gamma   63.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPb2W
_chemical_formula_sum   'K1 Pb2 W1'
_cell_volume   123.44
_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  0.0  0.39  0.45  1.0
  Pb  Pb2  1  0.52  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_KPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   6.77
_cell_length_c   7.05
_cell_angle_alpha   118.68
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPb2W
_chemical_formula_sum   'K1 Pb2 W1'
_cell_volume   123.44
_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  0.0  0.55  0.03  1.0
  Pb  Pb2  1  0.61  0.06  0.06  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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