data_Cr6Si7Ni16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr6Si7Ni16
_chemical_formula_sum   'Cr6 Si7 Ni16'
_cell_volume   332.63
_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  0.77  0.5  0.5  1.0
  Cr  Cr1  1  0.23  0.5  0.5  1.0
  Cr  Cr2  1  0.5  0.77  0.5  1.0
  Cr  Cr3  1  0.5  0.23  0.5  1.0
  Cr  Cr4  1  0.5  0.5  0.23  1.0
  Cr  Cr5  1  0.5  0.5  0.77  1.0
  Si  Si22  1  0.0  0.0  0.0  1.0
  Si  Si23  1  0.0  0.75  0.75  1.0
  Si  Si24  1  0.5  0.75  0.75  1.0
  Si  Si25  1  0.75  0.0  0.75  1.0
  Si  Si26  1  0.75  0.5  0.75  1.0
  Si  Si27  1  0.75  0.75  0.5  1.0
  Si  Si28  1  0.75  0.75  0.0  1.0
  Ni  Ni6  1  0.15  0.15  0.34  1.0
  Ni  Ni7  1  0.34  0.34  0.34  1.0
  Ni  Ni8  1  0.34  0.15  0.15  1.0
  Ni  Ni9  1  0.15  0.34  0.15  1.0
  Ni  Ni10  1  0.65  0.65  0.65  1.0
  Ni  Ni11  1  0.84  0.84  0.65  1.0
  Ni  Ni12  1  0.65  0.84  0.84  1.0
  Ni  Ni13  1  0.84  0.65  0.84  1.0
  Ni  Ni14  1  0.79  0.79  0.71  1.0
  Ni  Ni15  1  0.71  0.71  0.71  1.0
  Ni  Ni16  1  0.71  0.79  0.79  1.0
  Ni  Ni17  1  0.79  0.71  0.79  1.0
  Ni  Ni18  1  0.29  0.29  0.29  1.0
  Ni  Ni19  1  0.21  0.21  0.29  1.0
  Ni  Ni20  1  0.29  0.21  0.21  1.0
  Ni  Ni21  1  0.21  0.29  0.21  1.0

data_Cr6Si7Ni16
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   19.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr6Si7Ni16
_chemical_formula_sum   'Cr18 Si21 Ni48'
_cell_volume   997.88
_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  0.09  0.18  0.41  1.0
  Cr  Cr1  9  0.18  0.09  0.59  1.0
  Si  Si2  9  0.08  0.17  0.17  1.0
  Si  Si3  9  0.17  0.08  0.33  1.0
  Si  Si4  3  0.0  0.0  -0.0  1.0
  Ni  Ni5  9  0.03  0.05  0.76  1.0
  Ni  Ni6  9  0.05  0.03  0.24  1.0
  Ni  Ni7  9  0.06  0.13  0.78  1.0
  Ni  Ni8  9  0.13  0.06  0.22  1.0
  Ni  Ni9  3  0.0  0.0  0.29  1.0
  Ni  Ni10  3  0.0  0.0  0.35  1.0
  Ni  Ni11  3  0.0  0.0  0.66  1.0
  Ni  Ni12  3  0.0  0.0  0.71  1.0

Cr Cr Cr Cr Cr Cr Si Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Cr Cr Cr Cr Cr Cr Si Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 17 o o o 0 10 o o o 0 5 o o o 0 2 o o o 0 11 o o o 0 6 + + o 0 6 + o + 1 14 o o o 1 3 o o o 1 4 o o o 1 6 o + o 1 6 o o + 2 8 o o o 2 5 o o o 2 17 o o o 2 11 o o o 2 6 + + o 2 6 o + + 3 14 o o o 3 4 o o o 3 6 + o o 3 6 o o + 4 14 o o o 4 6 + o o 4 6 o + o 5 17 o o o 5 10 o o o 5 8 o o o 5 6 + o + 5 6 o + + 6 28 o - o 6 28 o o o 6 16 o - o 6 16 o o o 6 12 - - o 6 24 - - - 6 24 - o - 6 23 - - - 6 23 o - - 6 21 - - - 6 21 - - o 6 20 - - - 6 20 - o - 6 19 - - - 6 19 o - - 6 18 - - - 6 18 - - o 6 7 o - - 6 22 - - o 6 22 - o - 6 22 o - - 6 17 - - o 6 17 - o - 6 17 o - - 6 11 - - o 6 27 - o o 6 27 o o o 6 15 - o o 6 15 o o o 6 10 - o - 6 9 - o - 6 25 - o o 6 25 o - o 6 25 o o - 6 14 - o o 6 14 o - o 6 14 o o - 6 8 o - - 6 26 o o - 6 26 o o o 6 13 o o - 6 13 o o o 7 24 - o o 7 20 - o o 7 21 - o o 7 18 - o o 8 17 o o o 9 23 o - o 9 21 o - o 9 19 o - o 9 18 o - o 10 17 o o o 11 17 o o o 12 23 o o - 12 19 o o - 12 24 o o - 12 20 o o - 13 26 o o o 14 25 o o o 15 27 o o o 16 28 o o o 17 22 o o o 18 21 o o o 19 23 o o o 20 24 o o o 21 24 o o o 21 23 o o o 21 22 o o o 22 24 o o o 22 23 o o o 23 24 o o o 25 27 o o o 25 26 o o o 25 28 o o o 26 28 o o o 26 27 o o o 27 28 o o o 