data_Nb7(Si3Ni8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb7(Si3Ni8)2
_chemical_formula_sum   'Nb7 Si6 Ni16'
_cell_volume   392.06
_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
  Nb  Nb0  1  0.9  0.0  0.9  1.0
  Nb  Nb1  1  0.9  0.81  0.9  1.0
  Nb  Nb2  1  0.81  0.9  0.9  1.0
  Nb  Nb3  1  0.0  0.9  0.9  1.0
  Nb  Nb4  1  0.9  0.9  0.0  1.0
  Nb  Nb5  1  0.9  0.9  0.81  1.0
  Nb  Nb6  1  0.0  0.0  0.0  1.0
  Si  Si23  1  0.81  0.73  0.81  1.0
  Si  Si24  1  0.81  0.89  0.81  1.0
  Si  Si25  1  0.89  0.81  0.81  1.0
  Si  Si26  1  0.73  0.81  0.81  1.0
  Si  Si27  1  0.81  0.81  0.73  1.0
  Si  Si28  1  0.81  0.81  0.89  1.0
  Ni  Ni7  1  0.51  0.11  0.11  1.0
  Ni  Ni8  1  0.11  0.51  0.11  1.0
  Ni  Ni9  1  0.51  0.51  0.51  1.0
  Ni  Ni10  1  0.11  0.11  0.51  1.0
  Ni  Ni11  1  0.51  0.11  0.51  1.0
  Ni  Ni12  1  0.11  0.51  0.51  1.0
  Ni  Ni13  1  0.11  0.11  0.11  1.0
  Ni  Ni14  1  0.51  0.51  0.11  1.0
  Ni  Ni15  1  0.49  0.32  0.32  1.0
  Ni  Ni16  1  0.32  0.49  0.32  1.0
  Ni  Ni17  1  0.49  0.49  0.49  1.0
  Ni  Ni18  1  0.32  0.32  0.49  1.0
  Ni  Ni19  1  0.3  0.13  0.3  1.0
  Ni  Ni20  1  0.13  0.3  0.3  1.0
  Ni  Ni21  1  0.13  0.13  0.13  1.0
  Ni  Ni22  1  0.3  0.3  0.13  1.0

data_Nb7(Si3Ni8)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   20.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb7(Si3Ni8)2
_chemical_formula_sum   'Nb21 Si18 Ni48'
_cell_volume   1176.17
_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
  Nb  Nb0  9  0.03  0.06  0.06  1.0
  Nb  Nb1  9  0.06  0.03  0.13  1.0
  Nb  Nb2  3  0.0  0.0  -0.0  1.0
  Si  Si3  9  0.03  0.05  0.17  1.0
  Si  Si4  9  0.05  0.03  0.22  1.0
  Ni  Ni5  9  0.05  0.11  0.62  1.0
  Ni  Ni6  9  0.07  0.53  0.42  1.0
  Ni  Ni7  9  0.11  0.05  0.76  1.0
  Ni  Ni8  9  0.2  0.4  0.29  1.0
  Ni  Ni9  3  0.0  0.0  0.49  1.0
  Ni  Ni10  3  0.0  0.0  0.51  1.0
  Ni  Ni11  3  0.0  0.0  0.87  1.0
  Ni  Ni12  3  0.0  0.0  0.89  1.0

Nb Nb Nb Nb Nb Nb Nb Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni