data_Ta13Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35
_cell_length_b   9.35
_cell_length_c   9.35
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta13Ni
_chemical_formula_sum   'Ta26 Ni2'
_cell_volume   577.59
_cell_formula_units_Z   2
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  Ta2  1  0.07  1.0  0.61  1.0
  Ta  Ta3  1  0.15  1.0  0.61  1.0
  Ta  Ta4  1  0.07  0.22  0.61  1.0
  Ta  Ta5  1  0.15  0.22  0.61  1.0
  Ta  Ta6  1  0.61  0.15  0.22  1.0
  Ta  Ta7  1  0.61  0.07  0.22  1.0
  Ta  Ta8  1  0.61  0.15  1.0  1.0
  Ta  Ta9  1  0.61  0.07  1.0  1.0
  Ta  Ta10  1  0.22  0.61  0.07  1.0
  Ta  Ta11  1  0.22  0.61  0.15  1.0
  Ta  Ta12  1  1.0  0.61  0.07  1.0
  Ta  Ta13  1  1.0  0.61  0.15  1.0
  Ta  Ta14  1  0.61  0.83  0.07  1.0
  Ta  Ta15  1  0.61  0.83  0.15  1.0
  Ta  Ta16  1  0.61  0.39  0.07  1.0
  Ta  Ta17  1  0.61  0.39  0.15  1.0
  Ta  Ta18  1  0.83  0.07  0.61  1.0
  Ta  Ta19  1  0.83  0.15  0.61  1.0
  Ta  Ta20  1  0.39  0.07  0.61  1.0
  Ta  Ta21  1  0.39  0.15  0.61  1.0
  Ta  Ta22  1  0.07  0.61  0.83  1.0
  Ta  Ta23  1  0.15  0.61  0.83  1.0
  Ta  Ta24  1  0.07  0.61  0.39  1.0
  Ta  Ta25  1  0.15  0.61  0.39  1.0
  Ta  Ta26  1  0.61  0.61  0.61  1.0
  Ta  Ta27  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.91  0.91  0.91  1.0
  Ni  Ni1  1  0.3  0.3  0.3  1.0

data_Ta13Ni
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.35
_cell_length_b   9.35
_cell_length_c   22.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ta13Ni
_chemical_formula_sum   'Ta78 Ni6'
_cell_volume   1732.76
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.01  0.24  0.16  1.0
  Ta  Ta1  9  0.03  0.44  0.36  1.0
  Ta  Ta2  9  0.03  0.28  0.14  1.0
  Ta  Ta3  9  0.05  0.49  0.34  1.0
  Ta  Ta4  9  0.08  0.7  0.31  1.0
  Ta  Ta5  9  0.1  0.67  0.29  1.0
  Ta  Ta6  9  0.11  0.75  0.75  1.0
  Ta  Ta7  9  0.15  0.77  0.77  1.0
  Ta  Ta8  3  0.0  0.0  0.0  1.0
  Ta  Ta9  3  0.0  0.0  0.39  1.0
  Ni  Ni10  3  0.0  0.0  0.09  1.0
  Ni  Ni11  3  0.0  0.0  0.7  1.0

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