data_KSrCaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrCaPb
_chemical_formula_sum   'K1 Sr1 Ca1 Pb1'
_cell_volume   172.55
_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  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.42  0.42  0.42  1.0
  Ca  Ca0  1  0.21  0.21  0.21  1.0
  Pb  Pb2  1  0.63  0.63  0.63  1.0

data_KSrCaPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   15.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrCaPb
_chemical_formula_sum   'K3 Sr3 Ca3 Pb3'
_cell_volume   517.65
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sr  Sr1  3  0.0  0.0  0.58  1.0
  Ca  Ca2  3  0.0  0.0  0.79  1.0
  Pb  Pb3  3  0.0  0.0  0.37  1.0

K Sr Ca Pb
K Sr Ca Pb 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
KSrCaPb crystallizes in the trigonal R3m space group. K(1) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Pb(1) atoms. The K(1)-Ca(1) bond length is 3.20 Å. All K(1)-Pb(1) bond lengths are 3.66 Å. Sr(1) is bonded in a distorted single-bond geometry to one Ca(1) and four equivalent Pb(1) atoms. The Sr(1)-Ca(1) bond length is 3.20 Å. There is one shorter (3.20 Å) and three longer (4.08 Å) Sr(1)-Pb(1) bond lengths. Ca(1) is bonded in a 5-coordinate geometry to one K(1), one Sr(1), and three equivalent Pb(1) atoms. All Ca(1)-Pb(1) bond lengths are 3.84 Å. Pb(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Sr(1), and three equivalent Ca(1) atoms.