data_KPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   35.53
_cell_angle_beta   35.53
_cell_angle_gamma   35.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPtPb2
_chemical_formula_sum   'K1 Pt1 Pb2'
_cell_volume   127.45
_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
  Pt  Pt3  1  0.0  0.0  0.53  1.0
  Pb  Pb1  1  0.0  0.0  0.58  1.0
  Pb  Pb2  1  0.0  0.0  0.49  1.0

data_KPtPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.93
_cell_length_b   4.58
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   110.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPtPb2
_chemical_formula_sum   'K2 Pt2 Pb4'
_cell_volume   254.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.47  1.0
  Pb  Pb2  2  0.0  0.0  0.42  1.0
  Pb  Pb3  2  0.0  0.0  0.51  1.0

K Pt Pb Pb
K Pt Pb Pb 0 3 o o - 0 3 o o o 0 2 o o - 0 1 o o - 0 1 o o o 1 3 o o o 1 2 o o o 