data_KYPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   5.58
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   99.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYPb2
_chemical_formula_sum   'K1 Y1 Pb2'
_cell_volume   138.64
_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
  Y  Y3  1  0.23  0.0  0.49  1.0
  Pb  Pb1  1  0.39  0.79  0.78  1.0
  Pb  Pb2  1  0.07  0.79  0.2  1.0

data_KYPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.58
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   99.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYPb2
_chemical_formula_sum   'K1 Y1 Pb2'
_cell_volume   138.64
_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
  Y  Y1  1  0.23  0.0  0.49  1.0
  Pb  Pb2  1  0.07  0.79  0.2  1.0
  Pb  Pb3  1  0.39  0.79  0.78  1.0

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