data_KSrRePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrRePd
_chemical_formula_sum   'K1 Sr1 Re1 Pd1'
_cell_volume   99.27
_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
  Sr  Sr3  1  0.84  0.84  0.84  1.0
  Re  Re2  1  0.68  0.68  0.68  1.0
  Pd  Pd1  1  0.51  0.51  0.51  1.0

data_KSrRePd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrRePd
_chemical_formula_sum   'K3 Sr3 Re3 Pd3'
_cell_volume   297.8
_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  0.16  1.0
  Re  Re2  3  0.0  0.0  0.32  1.0
  Pd  Pd3  3  0.0  0.0  0.49  1.0

K Sr Re Pd
K Sr Re Pd 0 1 - - - 1 2 o o o 2 3 o o o 
KSrRePd crystallizes in the trigonal R3m space group. K(1) is bonded to one Sr(1) and three equivalent Re(1) atoms to form distorted KSrRe3 trigonal pyramids that share  a cornercorner with one Re(1)K3SrPd trigonal bipyramid, corners with three equivalent Sr(1)KRePd3 trigonal bipyramids, corners with six equivalent K(1)SrRe3 trigonal pyramids, and edges with three equivalent Pd(1)Sr3Re trigonal pyramids. The K(1)-Sr(1) bond length is 2.07 Å. All K(1)-Re(1) bond lengths are 3.00 Å. Sr(1) is bonded to one K(1), one Re(1), and three equivalent Pd(1) atoms to form distorted SrKRePd3 trigonal bipyramids that share corners with six equivalent Sr(1)KRePd3 trigonal bipyramids,  a cornercorner with one Pd(1)Sr3Re trigonal pyramid, corners with three equivalent K(1)SrRe3 trigonal pyramids, and edges with three equivalent Re(1)K3SrPd trigonal bipyramids. The Sr(1)-Re(1) bond length is 2.07 Å. All Sr(1)-Pd(1) bond lengths are 3.00 Å. Re(1) is bonded to three equivalent K(1), one Sr(1), and one Pd(1) atom to form distorted ReK3SrPd trigonal bipyramids that share corners with six equivalent Re(1)K3SrPd trigonal bipyramids,  a cornercorner with one K(1)SrRe3 trigonal pyramid, corners with three equivalent Pd(1)Sr3Re trigonal pyramids, and edges with three equivalent Sr(1)KRePd3 trigonal bipyramids. The Re(1)-Pd(1) bond length is 2.07 Å. Pd(1) is bonded to three equivalent Sr(1) and one Re(1) atom to form distorted PdSr3Re trigonal pyramids that share  a cornercorner with one Sr(1)KRePd3 trigonal bipyramid, corners with three equivalent Re(1)K3SrPd trigonal bipyramids, corners with six equivalent Pd(1)Sr3Re trigonal pyramids, and edges with three equivalent K(1)SrRe3 trigonal pyramids.