data_Ti6Ga16Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Ga16Co7
_chemical_formula_sum   'Ti6 Ga16 Co7'
_cell_volume   410.88
_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
  Ti  Ti23  1  0.9  0.9  0.61  1.0
  Ti  Ti24  1  0.9  0.9  0.2  1.0
  Ti  Ti25  1  0.2  0.9  0.9  1.0
  Ti  Ti26  1  0.61  0.9  0.9  1.0
  Ti  Ti27  1  0.9  0.2  0.9  1.0
  Ti  Ti28  1  0.9  0.61  0.9  1.0
  Ga  Ga7  1  0.47  0.47  0.43  1.0
  Ga  Ga8  1  0.43  0.47  0.47  1.0
  Ga  Ga9  1  0.47  0.43  0.47  1.0
  Ga  Ga10  1  0.43  0.43  0.43  1.0
  Ga  Ga11  1  0.37  0.33  0.33  1.0
  Ga  Ga12  1  0.33  0.33  0.37  1.0
  Ga  Ga13  1  0.33  0.37  0.33  1.0
  Ga  Ga14  1  0.37  0.37  0.37  1.0
  Ga  Ga15  1  0.72  0.72  0.09  1.0
  Ga  Ga16  1  0.09  0.72  0.72  1.0
  Ga  Ga17  1  0.72  0.09  0.72  1.0
  Ga  Ga18  1  0.09  0.09  0.09  1.0
  Ga  Ga19  1  0.72  0.09  0.09  1.0
  Ga  Ga20  1  0.09  0.09  0.72  1.0
  Ga  Ga21  1  0.09  0.72  0.09  1.0
  Ga  Ga22  1  0.72  0.72  0.72  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.95  0.95  0.0  1.0
  Co  Co2  1  0.95  0.95  0.9  1.0
  Co  Co3  1  0.9  0.95  0.95  1.0
  Co  Co4  1  0.0  0.95  0.95  1.0
  Co  Co5  1  0.95  0.9  0.95  1.0
  Co  Co6  1  0.95  0.0  0.95  1.0

data_Ti6Ga16Co7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   20.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ti6Ga16Co7
_chemical_formula_sum   'Ti18 Ga48 Co21'
_cell_volume   1232.63
_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
  Ti  Ti0  9  0.1  0.2  0.0  1.0
  Ti  Ti1  9  0.2  0.1  0.2  1.0
  Ga  Ga2  9  0.01  0.02  0.66  1.0
  Ga  Ga3  9  0.02  0.01  0.54  1.0
  Ga  Ga4  9  0.09  0.54  0.83  1.0
  Ga  Ga5  9  0.21  0.42  0.7  1.0
  Ga  Ga6  3  0.0  0.0  0.28  1.0
  Ga  Ga7  3  0.0  0.0  0.57  1.0
  Ga  Ga8  3  0.0  0.0  0.63  1.0
  Ga  Ga9  3  0.0  0.0  0.91  1.0
  Co  Co10  9  0.02  0.03  0.03  1.0
  Co  Co11  9  0.03  0.02  0.07  1.0
  Co  Co12  3  0.0  0.0  0.0  1.0

Ti Ti Ti Ti Ti Ti Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Co Co Co Co Co Co Co
Ti Ti Ti Ti Ti Ti Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Co Co Co Co Co Co Co 0 16 o + o 0 15 + o o 0 21 o o o 1 22 + + o 1 26 + o - 1 28 o + - 1 23 o o o 1 18 o + o 1 20 + o o 2 26 o o o 2 28 - + o 2 22 o + + 2 23 - o + 2 19 o + o 2 20 o o + 3 14 o o + 3 16 o + o 3 21 o o o 4 28 o o o 4 23 o - + 4 26 + - o 4 22 + o + 4 18 o o + 4 19 + o o 5 14 o o + 5 15 + o o 5 21 o o o 6 8 o o o 6 7 o o o 6 9 o o o 7 8 o o o 7 9 o o o 8 9 o o o 10 12 o o o 10 11 o o o 10 13 o o o 11 12 o o o 11 13 o o o 12 13 o o o 17 22 o o o 18 26 + - - 18 28 o o - 18 23 o - o 18 27 o - - 18 25 o - - 18 24 o - - 18 22 + o o 19 22 o o + 19 26 o - o 19 28 - o o 19 23 - - + 19 27 - - o 19 25 - - o 19 24 - - o 20 26 o o - 20 28 - + - 20 23 - o o 20 27 - o - 20 25 - o - 20 24 - o - 20 22 o + o 22 26 o - - 22 23 - - o 22 28 - o - 23 26 + o - 23 28 o + - 24 27 o o o 24 25 o o o 25 27 o o o 26 28 - + o 