data_KCaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   5.61
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   93.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaPb2
_chemical_formula_sum   'K1 Ca1 Pb2'
_cell_volume   139.07
_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  K1  1  0.01  0.0  0.16  1.0
  Ca  Ca0  1  0.48  0.81  0.58  1.0
  Pb  Pb2  1  0.0  0.81  0.13  1.0
  Pb  Pb3  1  0.36  0.0  0.93  1.0

data_KCaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.61
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   93.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaPb2
_chemical_formula_sum   'K1 Ca1 Pb2'
_cell_volume   139.07
_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  0.01  0.0  0.16  1.0
  Ca  Ca1  1  0.48  0.81  0.58  1.0
  Pb  Pb2  1  0.0  0.81  0.13  1.0
  Pb  Pb3  1  0.36  0.0  0.93  1.0

K Ca Pb Pb