data_CrSn4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn4As
_chemical_formula_sum   'Cr1 Sn4 As1'
_cell_volume   154.04
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.32  0.32  0.19  1.0
  Sn  Sn3  1  0.32  0.19  0.32  1.0
  Sn  Sn4  1  0.19  0.32  0.32  1.0
  Sn  Sn5  1  0.19  0.19  0.19  1.0
  As  As0  1  0.38  0.38  0.38  1.0

data_CrSn4As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   14.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrSn4As
_chemical_formula_sum   'Cr3 Sn12 As3'
_cell_volume   462.11
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  9  0.09  0.04  0.72  1.0
  Sn  Sn2  3  0.0  0.0  0.81  1.0
  As  As3  3  0.0  0.0  0.62  1.0

Cr Sn Sn Sn Sn As
Cr Sn Sn Sn Sn As 0 3 o - o 0 3 o o - 0 5 - o o 0 5 o - o 0 5 o o - 0 2 - o o 0 2 o o - 0 1 - o o 0 1 o - o 0 4 o o o 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
CrSn4As is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CrSn4As clusters. Cr(1) is bonded in a single-bond geometry to one Sn(2) atom. The Cr(1)-Sn(2) bond length is 2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Sn(2), two equivalent Sn(1), and one As(1) atom. The Sn(1)-Sn(2) bond length is 1.36 Å. Both Sn(1)-Sn(1) bond lengths are 0.78 Å. The Sn(1)-As(1) bond length is 1.62 Å. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Cr(1) and three equivalent Sn(1) atoms. As(1) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms.