data_KAg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15
_cell_length_b   10.15
_cell_length_c   10.15
_cell_angle_alpha   20.57
_cell_angle_beta   20.57
_cell_angle_gamma   20.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2Pb
_chemical_formula_sum   'K1 Ag2 Pb1'
_cell_volume   112.9
_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  K2  1  0.0  0.0  0.71  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.0  0.9  1.0
  Pb  Pb3  1  0.0  0.0  0.93  1.0

data_KAg2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   3.62
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   101.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAg2Pb
_chemical_formula_sum   'K2 Ag4 Pb2'
_cell_volume   225.81
_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  0.29  1.0
  Ag  Ag1  2  0.0  0.0  0.1  1.0
  Ag  Ag2  2  0.0  0.0  0.86  1.0
  Pb  Pb3  2  0.0  0.0  0.07  1.0

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