# generated using pymatgen
data_Co21(B3Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45730587
_cell_length_b   10.45730587
_cell_length_c   10.45730587
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co21(B3Mo)2
_chemical_formula_sum   'Co84 B24 Mo8'
_cell_volume   1143.56125653
_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
  Co  Co0  1  0.00000000  0.00000000  0.00000000  1
  Co  Co1  1  0.38197500  0.88197500  0.88197500  1
  Co  Co2  1  0.61802500  0.88197500  0.88197500  1
  Co  Co3  1  0.88197500  0.61802500  0.88197500  1
  Co  Co4  1  0.38197500  0.88197500  0.11802500  1
  Co  Co5  1  0.61802500  0.88197500  0.11802500  1
  Co  Co6  1  0.11802500  0.61802500  0.88197500  1
  Co  Co7  1  0.88197500  0.61802500  0.11802500  1
  Co  Co8  1  0.11802500  0.61802500  0.11802500  1
  Co  Co9  1  0.66927000  0.00000000  0.66927000  1
  Co  Co10  1  0.00000000  0.66927000  0.66927000  1
  Co  Co11  1  0.00000000  0.83073000  0.16927000  1
  Co  Co12  1  0.66927000  0.00000000  0.33073000  1
  Co  Co13  1  0.83073000  0.00000000  0.16927000  1
  Co  Co14  1  0.66927000  0.66927000  0.00000000  1
  Co  Co15  1  0.16927000  0.83073000  0.00000000  1
  Co  Co16  1  0.00000000  0.66927000  0.33073000  1
  Co  Co17  1  0.83073000  0.83073000  0.00000000  1
  Co  Co18  1  0.33073000  0.66927000  0.00000000  1
  Co  Co19  1  0.00000000  0.83073000  0.83073000  1
  Co  Co20  1  0.83073000  0.00000000  0.83073000  1
  Co  Co21  1  0.00000000  0.50000000  0.50000000  1
  Co  Co22  1  0.38197500  0.38197500  0.38197500  1
  Co  Co23  1  0.61802500  0.38197500  0.38197500  1
  Co  Co24  1  0.88197500  0.11802500  0.38197500  1
  Co  Co25  1  0.38197500  0.38197500  0.61802500  1
  Co  Co26  1  0.61802500  0.38197500  0.61802500  1
  Co  Co27  1  0.11802500  0.11802500  0.38197500  1
  Co  Co28  1  0.88197500  0.11802500  0.61802500  1
  Co  Co29  1  0.11802500  0.11802500  0.61802500  1
  Co  Co30  1  0.66927000  0.50000000  0.16927000  1
  Co  Co31  1  0.00000000  0.16927000  0.16927000  1
  Co  Co32  1  0.00000000  0.33073000  0.66927000  1
  Co  Co33  1  0.66927000  0.50000000  0.83073000  1
  Co  Co34  1  0.83073000  0.50000000  0.66927000  1
  Co  Co35  1  0.66927000  0.16927000  0.50000000  1
  Co  Co36  1  0.16927000  0.33073000  0.50000000  1
  Co  Co37  1  0.00000000  0.16927000  0.83073000  1
  Co  Co38  1  0.83073000  0.33073000  0.50000000  1
  Co  Co39  1  0.33073000  0.16927000  0.50000000  1
  Co  Co40  1  0.00000000  0.33073000  0.33073000  1
  Co  Co41  1  0.83073000  0.50000000  0.33073000  1
  Co  Co42  1  0.50000000  0.00000000  0.50000000  1
  Co  Co43  1  0.88197500  0.88197500  0.38197500  1
  Co  Co44  1  0.11802500  0.88197500  0.38197500  1
  Co  Co45  1  0.38197500  0.61802500  0.38197500  1
  Co  Co46  1  0.88197500  0.88197500  0.61802500  1
  Co  Co47  1  0.11802500  0.88197500  0.61802500  1
  Co  Co48  1  0.61802500  0.61802500  0.38197500  1
  Co  Co49  1  0.38197500  0.61802500  0.61802500  1
  Co  Co50  1  0.61802500  0.61802500  0.61802500  1
  Co  Co51  1  0.16927000  0.00000000  0.16927000  1
  Co  Co52  1  0.50000000  0.66927000  0.16927000  1
  Co  Co53  1  0.50000000  0.83073000  0.66927000  1
  Co  Co54  1  0.16927000  0.00000000  0.83073000  1
  Co  Co55  1  0.33073000  0.00000000  0.66927000  1
  Co  Co56  1  0.16927000  0.66927000  0.50000000  1
  Co  Co57  1  0.66927000  0.83073000  0.50000000  1
  Co  Co58  1  0.50000000  0.66927000  0.83073000  1
  Co  Co59  1  0.33073000  0.83073000  0.50000000  1
  Co  Co60  1  0.83073000  0.66927000  0.50000000  1
  Co  Co61  1  0.50000000  0.83073000  0.33073000  1
  Co  Co62  1  0.33073000  0.00000000  0.33073000  1
  Co  Co63  1  0.50000000  0.50000000  0.00000000  1
  Co  Co64  1  0.88197500  0.38197500  0.88197500  1
  Co  Co65  1  0.11802500  0.38197500  0.88197500  1
  Co  Co66  1  0.38197500  0.11802500  0.88197500  1
  Co  Co67  1  0.88197500  0.38197500  0.11802500  1
  Co  Co68  1  0.11802500  0.38197500  0.11802500  1
  Co  Co69  1  0.61802500  0.11802500  0.88197500  1
  Co  Co70  1  0.38197500  0.11802500  0.11802500  1
  Co  Co71  1  0.61802500  0.11802500  0.11802500  1
  Co  Co72  1  0.16927000  0.50000000  0.66927000  1
  Co  Co73  1  0.50000000  0.16927000  0.66927000  1
  Co  Co74  1  0.50000000  0.33073000  0.16927000  1
  Co  Co75  1  0.16927000  0.50000000  0.33073000  1
  Co  Co76  1  0.33073000  0.50000000  0.16927000  1
  Co  Co77  1  0.16927000  0.16927000  0.00000000  1
  Co  Co78  1  0.66927000  0.33073000  0.00000000  1
  Co  Co79  1  0.50000000  0.16927000  0.33073000  1
  Co  Co80  1  0.33073000  0.33073000  0.00000000  1
  Co  Co81  1  0.83073000  0.16927000  0.00000000  1
  Co  Co82  1  0.50000000  0.33073000  0.83073000  1
  Co  Co83  1  0.33073000  0.50000000  0.83073000  1
  B  B84  1  0.50000000  0.77453400  0.00000000  1
  B  B85  1  0.72546600  0.00000000  0.00000000  1
  B  B86  1  0.27453400  0.00000000  0.00000000  1
  B  B87  1  0.50000000  0.00000000  0.22546600  1
  B  B88  1  0.50000000  0.00000000  0.77453400  1
  B  B89  1  0.00000000  0.72546600  0.00000000  1
  B  B90  1  0.50000000  0.27453400  0.50000000  1
  B  B91  1  0.72546600  0.50000000  0.50000000  1
  B  B92  1  0.27453400  0.50000000  0.50000000  1
  B  B93  1  0.50000000  0.50000000  0.72546600  1
  B  B94  1  0.50000000  0.50000000  0.27453400  1
  B  B95  1  0.00000000  0.22546600  0.50000000  1
  B  B96  1  0.00000000  0.77453400  0.50000000  1
  B  B97  1  0.22546600  0.00000000  0.50000000  1
  B  B98  1  0.77453400  0.00000000  0.50000000  1
  B  B99  1  0.00000000  0.00000000  0.72546600  1
  B  B100  1  0.00000000  0.00000000  0.27453400  1
  B  B101  1  0.50000000  0.72546600  0.50000000  1
  B  B102  1  0.00000000  0.27453400  0.00000000  1
  B  B103  1  0.22546600  0.50000000  0.00000000  1
  B  B104  1  0.77453400  0.50000000  0.00000000  1
  B  B105  1  0.00000000  0.50000000  0.22546600  1
  B  B106  1  0.00000000  0.50000000  0.77453400  1
  B  B107  1  0.50000000  0.22546600  0.00000000  1
  Mo  Mo108  1  0.75000000  0.75000000  0.25000000  1
  Mo  Mo109  1  0.75000000  0.75000000  0.75000000  1
  Mo  Mo110  1  0.75000000  0.25000000  0.75000000  1
  Mo  Mo111  1  0.75000000  0.25000000  0.25000000  1
  Mo  Mo112  1  0.25000000  0.75000000  0.75000000  1
  Mo  Mo113  1  0.25000000  0.75000000  0.25000000  1
  Mo  Mo114  1  0.25000000  0.25000000  0.25000000  1
  Mo  Mo115  1  0.25000000  0.25000000  0.75000000  1
