data_KSrTaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrTaV
_chemical_formula_sum   'K1 Sr1 Ta1 V1'
_cell_volume   99.06
_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  Sr1  1  0.51  0.51  0.51  1.0
  Ta  Ta2  1  0.84  0.84  0.84  1.0
  V  V3  1  0.67  0.67  0.67  1.0

data_KSrTaV
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrTaV
_chemical_formula_sum   'K3 Sr3 Ta3 V3'
_cell_volume   297.17
_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  0.49  1.0
  Ta  Ta2  3  0.0  0.0  0.16  1.0
  V  V3  3  0.0  0.0  0.33  1.0

K Sr Ta V
K Sr Ta V 0 2 - - - 1 3 o o o 2 3 o o o 
KSrTaV crystallizes in the trigonal R3m space group. K(1) is bonded to one Ta(1) and three equivalent V(1) atoms to form distorted KTaV3 trigonal pyramids that share  a cornercorner with one V(1)K3SrTa trigonal bipyramid, corners with three equivalent Ta(1)KSr3V trigonal bipyramids, and corners with six equivalent K(1)TaV3 trigonal pyramids. The K(1)-Ta(1) bond length is 2.08 Å. All K(1)-V(1) bond lengths are 3.00 Å. Sr(1) is bonded in a distorted single-bond geometry to three equivalent Ta(1) and one V(1) atom. All Sr(1)-Ta(1) bond lengths are 3.00 Å. The Sr(1)-V(1) bond length is 2.08 Å. Ta(1) is bonded to one K(1), three equivalent Sr(1), and one V(1) atom to form distorted TaKSr3V trigonal bipyramids that share corners with six equivalent Ta(1)KSr3V trigonal bipyramids, corners with three equivalent K(1)TaV3 trigonal pyramids, and edges with three equivalent V(1)K3SrTa trigonal bipyramids. The Ta(1)-V(1) bond length is 2.08 Å. V(1) is bonded to three equivalent K(1), one Sr(1), and one Ta(1) atom to form distorted VK3SrTa trigonal bipyramids that share corners with six equivalent V(1)K3SrTa trigonal bipyramids,  a cornercorner with one K(1)TaV3 trigonal pyramid, and edges with three equivalent Ta(1)KSr3V trigonal bipyramids.