data_Ta3Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Si2Ni
_chemical_formula_sum   'Ta12 Si8 Ni4'
_cell_volume   356.44
_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
  Ta  Ta12  1  0.63  0.41  0.63  1.0
  Ta  Ta13  1  0.63  0.84  0.63  1.0
  Ta  Ta14  1  0.63  0.63  0.84  1.0
  Ta  Ta15  1  0.63  0.63  0.41  1.0
  Ta  Ta16  1  0.41  0.63  0.63  1.0
  Ta  Ta17  1  0.84  0.63  0.63  1.0
  Ta  Ta18  1  0.44  0.44  0.66  1.0
  Ta  Ta19  1  0.44  0.44  0.23  1.0
  Ta  Ta20  1  0.44  0.23  0.44  1.0
  Ta  Ta21  1  0.44  0.66  0.44  1.0
  Ta  Ta22  1  0.66  0.44  0.44  1.0
  Ta  Ta23  1  0.23  0.44  0.44  1.0
  Si  Si4  1  0.47  0.47  0.79  1.0
  Si  Si5  1  0.47  0.79  0.47  1.0
  Si  Si6  1  0.79  0.79  0.79  1.0
  Si  Si7  1  0.79  0.47  0.47  1.0
  Si  Si8  1  0.6  0.28  0.6  1.0
  Si  Si9  1  0.6  0.6  0.28  1.0
  Si  Si10  1  0.28  0.28  0.28  1.0
  Si  Si11  1  0.28  0.6  0.6  1.0
  Ni  Ni0  1  0.22  0.22  0.41  1.0
  Ni  Ni1  1  0.22  0.41  0.22  1.0
  Ni  Ni2  1  0.41  0.41  0.41  1.0
  Ni  Ni3  1  0.41  0.22  0.22  1.0

data_Ta3Si2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   19.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta3Si2Ni
_chemical_formula_sum   'Ta36 Si24 Ni12'
_cell_volume   1069.31
_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
  Ta  Ta0  9  0.07  0.14  0.3  1.0
  Ta  Ta1  9  0.07  0.14  0.49  1.0
  Ta  Ta2  9  0.14  0.07  0.63  1.0
  Ta  Ta3  9  0.14  0.07  0.44  1.0
  Si  Si4  9  0.11  0.21  0.43  1.0
  Si  Si5  9  0.21  0.11  0.51  1.0
  Si  Si6  3  0.0  0.0  0.21  1.0
  Si  Si7  3  0.0  0.0  0.72  1.0
  Ni  Ni8  9  0.06  0.12  0.72  1.0
  Ni  Ni9  3  0.0  0.0  0.59  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Si Si Si Si Si Si Si Si Ni Ni Ni Ni