data_KBaSrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaSrSn
_chemical_formula_sum   'K1 Ba1 Sr1 Sn1'
_cell_volume   165.8
_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
  Ba  Ba0  1  0.18  0.18  0.18  1.0
  Sr  Sr3  1  0.54  0.54  0.54  1.0
  Sn  Sn2  1  0.36  0.36  0.36  1.0

data_KBaSrSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBaSrSn
_chemical_formula_sum   'K3 Ba3 Sr3 Sn3'
_cell_volume   497.4
_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
  Ba  Ba1  3  0.0  0.0  0.82  1.0
  Sr  Sr2  3  0.0  0.0  0.46  1.0
  Sn  Sn3  3  0.0  0.0  0.64  1.0

K Ba Sr Sn
K Ba Sr Sn 0 1 o o o 1 3 o o o 2 3 o o o 
KBaSrSn crystallizes in the trigonal R3m space group. K(1) is bonded to one Ba(1) and three equivalent Sn(1) atoms to form distorted KBaSn3 trigonal pyramids that share  a cornercorner with one Sn(1)K3BaSr trigonal bipyramid and corners with six equivalent K(1)BaSn3 trigonal pyramids. The K(1)-Ba(1) bond length is 2.72 Å. All K(1)-Sn(1) bond lengths are 3.58 Å. Ba(1) is bonded in a distorted single-bond geometry to one K(1) and one Sn(1) atom. The Ba(1)-Sn(1) bond length is 2.72 Å. Sr(1) is bonded in a single-bond geometry to one Sn(1) atom. The Sr(1)-Sn(1) bond length is 2.72 Å. Sn(1) is bonded to three equivalent K(1), one Ba(1), and one Sr(1) atom to form distorted SnK3BaSr trigonal bipyramids that share corners with six equivalent Sn(1)K3BaSr trigonal bipyramids and  a cornercorner with one K(1)BaSn3 trigonal pyramid.