data_KSrNbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrNbNi
_chemical_formula_sum   'K1 Sr1 Nb1 Ni1'
_cell_volume   98.25
_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  0.49  0.49  0.49  1.0
  Nb  Nb1  1  0.66  0.66  0.66  1.0
  Ni  Ni2  1  0.83  0.83  0.83  1.0

data_KSrNbNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrNbNi
_chemical_formula_sum   'K3 Sr3 Nb3 Ni3'
_cell_volume   294.76
_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  0.51  1.0
  Nb  Nb2  3  0.0  0.0  0.34  1.0
  Ni  Ni3  3  0.0  0.0  0.17  1.0

K Sr Nb Ni
KSrNbNi crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Nb(1) and one Ni(1) atom. All K(1)-Nb(1) bond lengths are 2.99 Å. The K(1)-Ni(1) bond length is 2.14 Å. Sr(1) is bonded to one Nb(1) and three equivalent Ni(1) atoms to form distorted SrNbNi3 trigonal pyramids that share  a cornercorner with one Ni(1)KSr3Nb trigonal bipyramid, corners with three equivalent Nb(1)K3SrNi trigonal bipyramids, and corners with six equivalent Sr(1)NbNi3 trigonal pyramids. The Sr(1)-Nb(1) bond length is 2.14 Å. All Sr(1)-Ni(1) bond lengths are 2.99 Å. Nb(1) is bonded to three equivalent K(1), one Sr(1), and one Ni(1) atom to form distorted NbK3SrNi trigonal bipyramids that share corners with six equivalent Nb(1)K3SrNi trigonal bipyramids, corners with three equivalent Sr(1)NbNi3 trigonal pyramids, and edges with three equivalent Ni(1)KSr3Nb trigonal bipyramids. The Nb(1)-Ni(1) bond length is 2.14 Å. Ni(1) is bonded to one K(1), three equivalent Sr(1), and one Nb(1) atom to form distorted NiKSr3Nb trigonal bipyramids that share corners with six equivalent Ni(1)KSr3Nb trigonal bipyramids,  a cornercorner with one Sr(1)NbNi3 trigonal pyramid, and edges with three equivalent Nb(1)K3SrNi trigonal bipyramids.