data_SrLaAgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaAgPd
_chemical_formula_sum   'Sr1 La1 Ag1 Pd1'
_cell_volume   96.96
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.82  0.82  0.82  1.0
  Ag  Ag0  1  0.65  0.65  0.65  1.0
  Pd  Pd2  1  0.47  0.47  0.47  1.0

data_SrLaAgPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaAgPd
_chemical_formula_sum   'Sr3 La3 Ag3 Pd3'
_cell_volume   290.88
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.18  1.0
  Ag  Ag2  3  0.0  0.0  0.35  1.0
  Pd  Pd3  3  0.0  0.0  0.53  1.0

Sr La Ag Pd
Sr La Ag Pd 0 1 - - - 1 2 o o o 2 3 o o o 
SrLaPdAg crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 7-coordinate geometry to one La(1), three equivalent Pd(1), and three equivalent Ag(1) atoms. The Sr(1)-La(1) bond length is 2.23 Å. All Sr(1)-Pd(1) bond lengths are 3.44 Å. All Sr(1)-Ag(1) bond lengths are 2.99 Å. La(1) is bonded to one Sr(1), three equivalent Pd(1), and one Ag(1) atom to form distorted LaSrAgPd3 trigonal bipyramids that share corners with six equivalent La(1)SrAgPd3 trigonal bipyramids and edges with three equivalent Ag(1)Sr3LaPd trigonal bipyramids. All La(1)-Pd(1) bond lengths are 2.99 Å. The La(1)-Ag(1) bond length is 2.23 Å. Pd(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent La(1), and one Ag(1) atom. The Pd(1)-Ag(1) bond length is 2.23 Å. Ag(1) is bonded to three equivalent Sr(1), one La(1), and one Pd(1) atom to form distorted AgSr3LaPd trigonal bipyramids that share corners with six equivalent Ag(1)Sr3LaPd trigonal bipyramids and edges with three equivalent La(1)SrAgPd3 trigonal bipyramids.