data_V3Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   7.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Si2Ni
_chemical_formula_sum   'V12 Si8 Ni4'
_cell_volume   304.73
_cell_formula_units_Z   4
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
  V  V12  1  0.34  0.26  0.34  1.0
  V  V13  1  0.34  0.42  0.34  1.0
  V  V14  1  0.34  0.34  0.26  1.0
  V  V15  1  0.34  0.34  0.42  1.0
  V  V16  1  0.42  0.34  0.34  1.0
  V  V17  1  0.26  0.34  0.34  1.0
  V  V18  1  0.01  0.01  0.94  1.0
  V  V19  1  0.01  0.01  0.09  1.0
  V  V20  1  0.01  0.94  0.01  1.0
  V  V21  1  0.01  0.09  0.01  1.0
  V  V22  1  0.94  0.01  0.01  1.0
  V  V23  1  0.09  0.01  0.01  1.0
  Si  Si4  1  0.63  0.05  0.05  1.0
  Si  Si5  1  0.63  0.63  0.63  1.0
  Si  Si6  1  0.05  0.63  0.05  1.0
  Si  Si7  1  0.05  0.05  0.63  1.0
  Si  Si8  1  0.72  0.72  0.72  1.0
  Si  Si9  1  0.72  0.3  0.3  1.0
  Si  Si10  1  0.3  0.72  0.3  1.0
  Si  Si11  1  0.3  0.3  0.72  1.0
  Ni  Ni0  1  0.34  0.01  0.01  1.0
  Ni  Ni1  1  0.34  0.34  0.34  1.0
  Ni  Ni2  1  0.01  0.34  0.01  1.0
  Ni  Ni3  1  0.01  0.01  0.34  1.0

data_V3Si2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   18.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V3Si2Ni
_chemical_formula_sum   'V36 Si24 Ni12'
_cell_volume   914.18
_cell_formula_units_Z   12
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
  V  V0  9  0.03  0.05  0.96  1.0
  V  V1  9  0.03  0.05  0.63  1.0
  V  V2  9  0.05  0.03  0.01  1.0
  V  V3  9  0.05  0.03  0.68  1.0
  Si  Si4  9  0.05  0.53  0.23  1.0
  Si  Si5  9  0.19  0.39  0.76  1.0
  Si  Si6  3  0.0  0.0  0.28  1.0
  Si  Si7  3  0.0  0.0  0.37  1.0
  Ni  Ni8  9  0.11  0.22  0.88  1.0
  Ni  Ni9  3  0.0  0.0  0.66  1.0

V V V V V V V V V V V V Si Si Si Si Si Si Si Si Ni Ni Ni Ni