# generated using pymatgen
data_Sc3Co4Ni5B6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82419613
_cell_length_b   4.85879139
_cell_length_c   8.90529819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.23749045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Co4Ni5B6
_chemical_formula_sum   'Sc3 Co4 Ni5 B6'
_cell_volume   180.33831588
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.66845048  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.99821652  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.33333300  1.0
  Co  Co3  1  0.50000000  0.00000000  0.79960585  1.0
  Co  Co4  1  0.50000000  0.50000000  0.86706115  1.0
  Co  Co5  1  0.50000000  0.50000000  0.46905553  1.0
  Co  Co6  1  0.50000000  0.00000000  0.19761147  1.0
  Ni  Ni7  1  0.00000000  0.50000000  0.83333300  1.0
  Ni  Ni8  1  0.00000000  0.50000000  0.13476879  1.0
  Ni  Ni9  1  0.50000000  0.50000000  0.16918010  1.0
  Ni  Ni10  1  0.00000000  0.50000000  0.53189721  1.0
  Ni  Ni11  1  0.50000000  0.00000000  0.49748690  1.0
  B  B12  1  0.61208038  0.23084558  0.99803010  1.0
  B  B13  1  0.74945858  0.37472879  0.33333300  1.0
  B  B14  1  0.25054142  0.62527121  0.33333300  1.0
  B  B15  1  0.61208038  0.38123380  0.66863690  1.0
  B  B16  1  0.38791962  0.61876620  0.66863690  1.0
  B  B17  1  0.38791962  0.76915442  0.99803010  1.0