data_KCrSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrSn4
_chemical_formula_sum   'K1 Cr1 Sn4'
_cell_volume   170.51
_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
  Cr  Cr0  1  0.6  0.6  0.6  1.0
  Sn  Sn2  1  0.49  0.49  0.31  1.0
  Sn  Sn3  1  0.49  0.31  0.49  1.0
  Sn  Sn4  1  0.31  0.49  0.49  1.0
  Sn  Sn5  1  0.31  0.31  0.31  1.0

data_KCrSn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   15.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCrSn4
_chemical_formula_sum   'K3 Cr3 Sn12'
_cell_volume   511.52
_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
  Cr  Cr1  3  0.0  0.0  0.4  1.0
  Sn  Sn2  9  0.12  0.06  0.57  1.0
  Sn  Sn3  3  0.0  0.0  0.69  1.0

K Cr Sn Sn Sn Sn
KCrSn4 crystallizes in the trigonal R3m space group. K(1) is bonded to three equivalent Cr(1), three equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted face-sharing KCr3Sn9 cuboctahedra. All K(1)-Cr(1) bond lengths are 3.73 Å. All K(1)-Sn(2) bond lengths are 3.61 Å. All K(1)-Sn(1) bond lengths are 3.64 Å. Cr(1) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Sn(1) atoms. All Cr(1)-Sn(1) bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Sn(1) atoms. All Sn(2)-Sn(1) bond lengths are 1.89 Å. In the second Sn site, Sn(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Cr(1), one Sn(2), and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 1.09 Å.