# generated using pymatgen
data_Ti20(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79803218
_cell_length_b   11.79803218
_cell_length_c   11.79803218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti20(CoB2)3
_chemical_formula_sum   'Ti80 Co12 B24'
_cell_volume   1642.21013930
_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
  Ti  Ti0  1  0.37632100  0.87632100  0.87632100  1
  Ti  Ti1  1  0.12367900  0.12367900  0.62367900  1
  Ti  Ti2  1  0.12367900  0.12367900  0.37632100  1
  Ti  Ti3  1  0.12367900  0.87632100  0.62367900  1
  Ti  Ti4  1  0.37632100  0.87632100  0.12367900  1
  Ti  Ti5  1  0.37632100  0.12367900  0.87632100  1
  Ti  Ti6  1  0.37632100  0.12367900  0.12367900  1
  Ti  Ti7  1  0.12367900  0.87632100  0.37632100  1
  Ti  Ti8  1  0.00000000  0.66731700  0.66731700  1
  Ti  Ti9  1  0.00000000  0.83268300  0.83268300  1
  Ti  Ti10  1  0.00000000  0.33268300  0.66731700  1
  Ti  Ti11  1  0.00000000  0.16731700  0.83268300  1
  Ti  Ti12  1  0.16731700  0.00000000  0.16731700  1
  Ti  Ti13  1  0.16731700  0.00000000  0.83268300  1
  Ti  Ti14  1  0.33268300  0.00000000  0.33268300  1
  Ti  Ti15  1  0.33268300  0.00000000  0.66731700  1
  Ti  Ti16  1  0.16731700  0.16731700  0.00000000  1
  Ti  Ti17  1  0.33268300  0.33268300  0.00000000  1
  Ti  Ti18  1  0.16731700  0.83268300  0.00000000  1
  Ti  Ti19  1  0.33268300  0.66731700  0.00000000  1
  Ti  Ti20  1  0.37632100  0.37632100  0.37632100  1
  Ti  Ti21  1  0.12367900  0.62367900  0.12367900  1
  Ti  Ti22  1  0.12367900  0.62367900  0.87632100  1
  Ti  Ti23  1  0.12367900  0.37632100  0.12367900  1
  Ti  Ti24  1  0.37632100  0.37632100  0.62367900  1
  Ti  Ti25  1  0.37632100  0.62367900  0.37632100  1
  Ti  Ti26  1  0.37632100  0.62367900  0.62367900  1
  Ti  Ti27  1  0.12367900  0.37632100  0.87632100  1
  Ti  Ti28  1  0.00000000  0.16731700  0.16731700  1
  Ti  Ti29  1  0.00000000  0.33268300  0.33268300  1
  Ti  Ti30  1  0.00000000  0.83268300  0.16731700  1
  Ti  Ti31  1  0.00000000  0.66731700  0.33268300  1
  Ti  Ti32  1  0.16731700  0.50000000  0.66731700  1
  Ti  Ti33  1  0.16731700  0.50000000  0.33268300  1
  Ti  Ti34  1  0.33268300  0.50000000  0.83268300  1
  Ti  Ti35  1  0.33268300  0.50000000  0.16731700  1
  Ti  Ti36  1  0.16731700  0.66731700  0.50000000  1
  Ti  Ti37  1  0.33268300  0.83268300  0.50000000  1
  Ti  Ti38  1  0.16731700  0.33268300  0.50000000  1
  Ti  Ti39  1  0.33268300  0.16731700  0.50000000  1
  Ti  Ti40  1  0.87632100  0.87632100  0.37632100  1
  Ti  Ti41  1  0.62367900  0.12367900  0.12367900  1
  Ti  Ti42  1  0.62367900  0.12367900  0.87632100  1
  Ti  Ti43  1  0.62367900  0.87632100  0.12367900  1
  Ti  Ti44  1  0.87632100  0.87632100  0.62367900  1
  Ti  Ti45  1  0.87632100  0.12367900  0.37632100  1
  Ti  Ti46  1  0.87632100  0.12367900  0.62367900  1
  Ti  Ti47  1  0.62367900  0.87632100  0.87632100  1
  Ti  Ti48  1  0.50000000  0.66731700  0.16731700  1
  Ti  Ti49  1  0.50000000  0.83268300  0.33268300  1
  Ti  Ti50  1  0.50000000  0.33268300  0.16731700  1
  Ti  Ti51  1  0.50000000  0.16731700  0.33268300  1
  Ti  Ti52  1  0.66731700  0.00000000  0.66731700  1
  Ti  Ti53  1  0.66731700  0.00000000  0.33268300  1
  Ti  Ti54  1  0.83268300  0.00000000  0.83268300  1
  Ti  Ti55  1  0.83268300  0.00000000  0.16731700  1
  Ti  Ti56  1  0.66731700  0.16731700  0.50000000  1
  Ti  Ti57  1  0.83268300  0.33268300  0.50000000  1
  Ti  Ti58  1  0.66731700  0.83268300  0.50000000  1
  Ti  Ti59  1  0.83268300  0.66731700  0.50000000  1
  Ti  Ti60  1  0.87632100  0.37632100  0.87632100  1
  Ti  Ti61  1  0.62367900  0.62367900  0.62367900  1
  Ti  Ti62  1  0.62367900  0.62367900  0.37632100  1
  Ti  Ti63  1  0.62367900  0.37632100  0.62367900  1
  Ti  Ti64  1  0.87632100  0.37632100  0.12367900  1
  Ti  Ti65  1  0.87632100  0.62367900  0.87632100  1
  Ti  Ti66  1  0.87632100  0.62367900  0.12367900  1
  Ti  Ti67  1  0.62367900  0.37632100  0.37632100  1
  Ti  Ti68  1  0.50000000  0.16731700  0.66731700  1
  Ti  Ti69  1  0.50000000  0.33268300  0.83268300  1
  Ti  Ti70  1  0.50000000  0.83268300  0.66731700  1
  Ti  Ti71  1  0.50000000  0.66731700  0.83268300  1
  Ti  Ti72  1  0.66731700  0.50000000  0.16731700  1
  Ti  Ti73  1  0.66731700  0.50000000  0.83268300  1
  Ti  Ti74  1  0.83268300  0.50000000  0.33268300  1
  Ti  Ti75  1  0.83268300  0.50000000  0.66731700  1
  Ti  Ti76  1  0.66731700  0.66731700  0.00000000  1
  Ti  Ti77  1  0.83268300  0.83268300  0.00000000  1
  Ti  Ti78  1  0.66731700  0.33268300  0.00000000  1
  Ti  Ti79  1  0.83268300  0.16731700  0.00000000  1
  Co  Co80  1  0.25000000  0.75000000  0.75000000  1
  Co  Co81  1  0.25000000  0.25000000  0.75000000  1
  Co  Co82  1  0.00000000  0.00000000  0.00000000  1
  Co  Co83  1  0.25000000  0.25000000  0.25000000  1
  Co  Co84  1  0.25000000  0.75000000  0.25000000  1
  Co  Co85  1  0.00000000  0.50000000  0.50000000  1
  Co  Co86  1  0.75000000  0.75000000  0.25000000  1
  Co  Co87  1  0.75000000  0.25000000  0.25000000  1
  Co  Co88  1  0.50000000  0.00000000  0.50000000  1
  Co  Co89  1  0.75000000  0.25000000  0.75000000  1
  Co  Co90  1  0.75000000  0.75000000  0.75000000  1
  Co  Co91  1  0.50000000  0.50000000  0.00000000  1
  B  B92  1  0.28029700  0.00000000  0.00000000  1
  B  B93  1  0.21970300  0.00000000  0.50000000  1
  B  B94  1  0.00000000  0.78029700  0.50000000  1
  B  B95  1  0.00000000  0.21970300  0.50000000  1
  B  B96  1  0.00000000  0.00000000  0.28029700  1
  B  B97  1  0.00000000  0.00000000  0.71970300  1
  B  B98  1  0.28029700  0.50000000  0.50000000  1
  B  B99  1  0.21970300  0.50000000  0.00000000  1
  B  B100  1  0.00000000  0.28029700  0.00000000  1
  B  B101  1  0.00000000  0.71970300  0.00000000  1
  B  B102  1  0.00000000  0.50000000  0.78029700  1
  B  B103  1  0.00000000  0.50000000  0.21970300  1
  B  B104  1  0.78029700  0.00000000  0.50000000  1
  B  B105  1  0.71970300  0.00000000  0.00000000  1
  B  B106  1  0.50000000  0.78029700  0.00000000  1
  B  B107  1  0.50000000  0.21970300  0.00000000  1
  B  B108  1  0.50000000  0.00000000  0.78029700  1
  B  B109  1  0.50000000  0.00000000  0.21970300  1
  B  B110  1  0.78029700  0.50000000  0.00000000  1
  B  B111  1  0.71970300  0.50000000  0.50000000  1
  B  B112  1  0.50000000  0.28029700  0.50000000  1
  B  B113  1  0.50000000  0.71970300  0.50000000  1
  B  B114  1  0.50000000  0.50000000  0.28029700  1
  B  B115  1  0.50000000  0.50000000  0.71970300  1
