data_ZrTiCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiCo6
_chemical_formula_sum   'Zr4 Ti4 Co24'
_cell_volume   384.47
_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
  Zr  Zr28  1  0.63  0.54  0.15  1.0
  Zr  Zr29  1  0.63  0.46  0.15  1.0
  Zr  Zr30  1  0.63  0.0  0.55  1.0
  Zr  Zr31  1  0.63  0.0  0.74  1.0
  Ti  Ti24  1  0.63  0.54  0.0  1.0
  Ti  Ti25  1  0.63  0.46  0.0  1.0
  Ti  Ti26  1  0.0  0.0  0.55  1.0
  Ti  Ti27  1  0.0  0.0  0.74  1.0
  Co  Co0  1  0.63  0.63  0.5  1.0
  Co  Co1  1  0.5  0.74  0.82  1.0
  Co  Co2  1  0.76  0.26  0.82  1.0
  Co  Co3  1  0.63  0.37  0.5  1.0
  Co  Co4  1  0.76  0.74  0.82  1.0
  Co  Co5  1  0.5  0.26  0.82  1.0
  Co  Co6  1  0.63  0.0  0.0  1.0
  Co  Co7  1  0.77  0.31  0.24  1.0
  Co  Co8  1  0.77  0.69  0.24  1.0
  Co  Co9  1  0.63  0.63  0.79  1.0
  Co  Co10  1  0.5  0.69  0.05  1.0
  Co  Co11  1  0.77  0.31  0.05  1.0
  Co  Co12  1  0.63  0.37  0.79  1.0
  Co  Co13  1  0.77  0.69  0.05  1.0
  Co  Co14  1  0.5  0.31  0.05  1.0
  Co  Co15  1  0.63  0.0  0.15  1.0
  Co  Co16  1  0.76  0.26  0.47  1.0
  Co  Co17  1  0.76  0.74  0.47  1.0
  Co  Co18  1  0.0  0.0  0.0  1.0
  Co  Co19  1  0.5  0.31  0.24  1.0
  Co  Co20  1  0.5  0.69  0.24  1.0
  Co  Co21  1  0.0  0.0  0.15  1.0
  Co  Co22  1  0.5  0.26  0.47  1.0
  Co  Co23  1  0.5  0.74  0.47  1.0

data_ZrTiCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiCo6
_chemical_formula_sum   'Zr4 Ti4 Co24'
_cell_volume   384.47
_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
  Zr  Zr0  1  0.63  0.0  0.55  1.0
  Zr  Zr1  1  0.63  0.0  0.74  1.0
  Zr  Zr2  1  0.63  0.46  0.15  1.0
  Zr  Zr3  1  0.63  0.54  0.15  1.0
  Ti  Ti4  1  0.0  0.0  0.55  1.0
  Ti  Ti5  1  0.0  0.0  0.74  1.0
  Ti  Ti6  1  0.63  0.46  -0.0  1.0
  Ti  Ti7  1  0.63  0.54  -0.0  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.15  1.0
  Co  Co10  1  0.5  0.31  0.05  1.0
  Co  Co11  1  0.5  0.31  0.24  1.0
  Co  Co12  1  0.5  0.69  0.05  1.0
  Co  Co13  1  0.5  0.69  0.24  1.0
  Co  Co14  1  0.5  0.26  0.47  1.0
  Co  Co15  1  0.5  0.26  0.82  1.0
  Co  Co16  1  0.5  0.74  0.47  1.0
  Co  Co17  1  0.5  0.74  0.82  1.0
  Co  Co18  1  0.63  0.0  0.0  1.0
  Co  Co19  1  0.63  0.0  0.15  1.0
  Co  Co20  1  0.63  0.37  0.5  1.0
  Co  Co21  1  0.63  0.37  0.79  1.0
  Co  Co22  1  0.63  0.63  0.5  1.0
  Co  Co23  1  0.63  0.63  0.79  1.0
  Co  Co24  1  0.76  0.26  0.47  1.0
  Co  Co25  1  0.76  0.26  0.82  1.0
  Co  Co26  1  0.76  0.74  0.47  1.0
  Co  Co27  1  0.76  0.74  0.82  1.0
  Co  Co28  1  0.77  0.31  0.05  1.0
  Co  Co29  1  0.77  0.31  0.24  1.0
  Co  Co30  1  0.77  0.69  0.05  1.0
  Co  Co31  1  0.77  0.69  0.24  1.0

Zr Zr Zr Zr Ti Ti Ti Ti Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co
Zr Zr Zr Zr Ti Ti Ti Ti Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co 0 1 o o o 0 16 o o o 0 18 o o o 0 27 o o o 0 28 o o o 1 15 o o o 1 16 o o o 1 19 o o o 1 27 o o o 2 31 o - o 2 24 o o o 2 3 o o o 2 6 + o o 3 9 o - o 3 10 o o o 3 7 + o o 4 5 o o o 4 18 o o o 4 19 o o o 4 21 o o o 5 18 o o o 5 19 o o o 5 22 o o o 6 25 - - o 6 7 o o o 7 12 - - o 8 25 o o o 8 31 o o o 9 17 o o o 10 20 o o o 11 30 o o o 11 24 o o o 12 17 o o o 13 20 o o o 14 23 o o o 14 18 o - o 14 19 o o o 15 23 o o o 15 27 o o o 15 19 o o o 16 28 o o o 18 28 o o o 18 21 o o o 19 22 o o o 23 28 o - o 26 29 o o o 