data_Cr4SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4SnP
_chemical_formula_sum   'Cr4 Sn1 P1'
_cell_volume   82.34
_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  Cr0  1  0.59  0.59  0.32  1.0
  Cr  Cr1  1  0.59  0.32  0.59  1.0
  Cr  Cr2  1  0.32  0.59  0.59  1.0
  Cr  Cr3  1  0.32  0.32  0.32  1.0
  Sn  Sn5  1  0.73  0.73  0.73  1.0
  P  P4  1  0.0  0.0  0.0  1.0

data_Cr4SnP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr4SnP
_chemical_formula_sum   'Cr12 Sn3 P3'
_cell_volume   247.01
_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  9  0.18  0.09  0.5  1.0
  Cr  Cr1  3  0.0  0.0  0.68  1.0
  Sn  Sn2  3  0.0  0.0  0.27  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Cr Cr Cr Cr Sn P
Cr Cr Cr Cr Sn P 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 4 o o - 0 5 + + o 0 5 + o o 0 5 o + o 1 2 o o o 1 3 o o o 1 4 o o o 1 4 o - o 1 5 + o + 1 5 + o o 1 5 o o + 2 3 o o o 2 4 o o o 2 4 - o o 2 5 o + + 2 5 o + o 2 5 o o + 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o o - 3 4 o - o 3 4 - o o 4 5 o + + 4 5 + o + 4 5 + + o 4 5 + + + 
Cr4SnP crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1), one Sn(1), and one P(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.32 Å. The Cr(1)-Sn(1) bond length is 2.41 Å. The Cr(1)-P(1) bond length is 2.88 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. All Cr(2)-P(1) bond lengths are 2.83 Å. Sn(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) and three equivalent P(1) atoms. All Sn(1)-P(1) bond lengths are 2.91 Å. P(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and three equivalent Sn(1) atoms.