# generated using pymatgen
data_ScPaMnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51820524
_cell_length_b   8.91506533
_cell_length_c   11.26487284
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaMnB6
_chemical_formula_sum   'Sc4 Pa4 Mn4 B24'
_cell_volume   353.32306969
_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
  Sc  Sc0  1  0.00000000  0.44423676  0.12723159  1.0
  Sc  Sc1  1  0.00000000  0.55576324  0.87276841  1.0
  Sc  Sc2  1  0.00000000  0.94423676  0.37276841  1.0
  Sc  Sc3  1  0.00000000  0.05576324  0.62723159  1.0
  Pa  Pa4  1  0.00000000  0.82257415  0.08588584  1.0
  Pa  Pa5  1  0.00000000  0.17742585  0.91411416  1.0
  Pa  Pa6  1  0.00000000  0.32257415  0.41411416  1.0
  Pa  Pa7  1  0.00000000  0.67742585  0.58588584  1.0
  Mn  Mn8  1  0.00000000  0.14055794  0.18083811  1.0
  Mn  Mn9  1  0.00000000  0.85944206  0.81916189  1.0
  Mn  Mn10  1  0.00000000  0.64055794  0.31916189  1.0
  Mn  Mn11  1  0.00000000  0.35944206  0.68083811  1.0
  B  B12  1  0.50000000  0.05545699  0.06874018  1.0
  B  B13  1  0.50000000  0.94454301  0.93125982  1.0
  B  B14  1  0.50000000  0.55545699  0.43125982  1.0
  B  B15  1  0.50000000  0.44454301  0.56874018  1.0
  B  B16  1  0.50000000  0.25158854  0.08274196  1.0
  B  B17  1  0.50000000  0.74841146  0.91725804  1.0
  B  B18  1  0.50000000  0.75158854  0.41725804  1.0
  B  B19  1  0.50000000  0.24841146  0.58274196  1.0
  B  B20  1  0.50000000  0.29344820  0.23411480  1.0
  B  B21  1  0.50000000  0.70655180  0.76588520  1.0
  B  B22  1  0.50000000  0.79344820  0.26588520  1.0
  B  B23  1  0.50000000  0.20655180  0.73411480  1.0
  B  B24  1  0.50000000  0.13061711  0.31580600  1.0
  B  B25  1  0.50000000  0.86938289  0.68419400  1.0
  B  B26  1  0.50000000  0.63061711  0.18419400  1.0
  B  B27  1  0.50000000  0.36938289  0.81580600  1.0
  B  B28  1  0.50000000  0.48413150  0.28529722  1.0
  B  B29  1  0.50000000  0.51586850  0.71470278  1.0
  B  B30  1  0.50000000  0.98413150  0.21470278  1.0
  B  B31  1  0.50000000  0.01586850  0.78529722  1.0
  B  B32  1  0.50000000  0.10115880  0.47257746  1.0
  B  B33  1  0.50000000  0.89884120  0.52742254  1.0
  B  B34  1  0.50000000  0.60115880  0.02742254  1.0
  B  B35  1  0.50000000  0.39884120  0.97257746  1.0