data_Ta7(Si8Ni3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta7(Si8Ni3)2
_chemical_formula_sum   'Ta7 Si16 Ni6'
_cell_volume   426.35
_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
  Ta  Ta22  1  0.0  0.0  0.0  1.0
  Ta  Ta23  1  0.0  0.99  0.99  1.0
  Ta  Ta24  1  0.97  0.99  0.99  1.0
  Ta  Ta25  1  0.99  0.99  0.0  1.0
  Ta  Ta26  1  0.99  0.99  0.97  1.0
  Ta  Ta27  1  0.99  0.0  0.99  1.0
  Ta  Ta28  1  0.99  0.97  0.99  1.0
  Si  Si6  1  0.45  0.45  0.45  1.0
  Si  Si7  1  0.47  0.45  0.47  1.0
  Si  Si8  1  0.47  0.47  0.45  1.0
  Si  Si9  1  0.45  0.47  0.47  1.0
  Si  Si10  1  0.47  0.5  0.47  1.0
  Si  Si11  1  0.5  0.5  0.5  1.0
  Si  Si12  1  0.47  0.47  0.5  1.0
  Si  Si13  1  0.5  0.47  0.47  1.0
  Si  Si14  1  0.33  0.33  0.33  1.0
  Si  Si15  1  0.62  0.33  0.62  1.0
  Si  Si16  1  0.62  0.62  0.33  1.0
  Si  Si17  1  0.33  0.62  0.62  1.0
  Si  Si18  1  0.33  0.62  0.33  1.0
  Si  Si19  1  0.62  0.62  0.62  1.0
  Si  Si20  1  0.33  0.33  0.62  1.0
  Si  Si21  1  0.62  0.33  0.33  1.0
  Ni  Ni0  1  0.91  0.97  0.97  1.0
  Ni  Ni1  1  0.04  0.97  0.97  1.0
  Ni  Ni2  1  0.97  0.97  0.91  1.0
  Ni  Ni3  1  0.97  0.97  0.04  1.0
  Ni  Ni4  1  0.97  0.91  0.97  1.0
  Ni  Ni5  1  0.97  0.04  0.97  1.0

data_Ta7(Si8Ni3)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   20.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta7(Si8Ni3)2
_chemical_formula_sum   'Ta21 Si48 Ni18'
_cell_volume   1279.06
_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
  Ta  Ta0  9  0.0  0.01  0.01  1.0
  Ta  Ta1  9  0.01  0.0  0.02  1.0
  Ta  Ta2  3  0.0  0.0  0.0  1.0
  Si  Si3  9  0.01  0.02  0.52  1.0
  Si  Si4  9  0.02  0.01  0.54  1.0
  Si  Si5  9  0.09  0.19  0.57  1.0
  Si  Si6  9  0.19  0.09  0.48  1.0
  Si  Si7  3  0.0  0.0  0.38  1.0
  Si  Si8  3  0.0  0.0  0.5  1.0
  Si  Si9  3  0.0  0.0  0.55  1.0
  Si  Si10  3  0.0  0.0  0.67  1.0
  Ni  Ni11  9  0.02  0.04  0.01  1.0
  Ni  Ni12  9  0.04  0.02  0.05  1.0

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