# generated using pymatgen
data_Sc4MnB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43049246
_cell_length_b   8.84245136
_cell_length_c   11.14833179
_cell_angle_alpha   90.03316907
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4MnB12Ir
_chemical_formula_sum   'Sc8 Mn2 B24 Ir2'
_cell_volume   338.17302360
_cell_formula_units_Z   2
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  0.50000000  0.31015576  0.40812413  1.0
  Sc  Sc1  1  0.50000000  0.68984424  0.59187587  1.0
  Sc  Sc2  1  0.50000000  0.17280051  0.91962238  1.0
  Sc  Sc3  1  0.50000000  0.82719949  0.08037762  1.0
  Sc  Sc4  1  0.50000000  0.43818757  0.12555473  1.0
  Sc  Sc5  1  0.50000000  0.56181243  0.87444527  1.0
  Sc  Sc6  1  0.50000000  0.05143955  0.62933229  1.0
  Sc  Sc7  1  0.50000000  0.94856045  0.37066771  1.0
  Mn  Mn8  1  0.50000000  0.13908530  0.18060016  1.0
  Mn  Mn9  1  0.50000000  0.86091470  0.81939984  1.0
  B  B10  1  0.00000000  0.10254478  0.47168551  1.0
  B  B11  1  0.00000000  0.89745522  0.52831449  1.0
  B  B12  1  0.00000000  0.39699665  0.97207986  1.0
  B  B13  1  0.00000000  0.60300335  0.02792014  1.0
  B  B14  1  0.00000000  0.12991863  0.31511232  1.0
  B  B15  1  0.00000000  0.87008137  0.68488768  1.0
  B  B16  1  0.00000000  0.36967109  0.81891550  1.0
  B  B17  1  0.00000000  0.63032891  0.18108450  1.0
  B  B18  1  0.00000000  0.05348387  0.06635260  1.0
  B  B19  1  0.00000000  0.94651613  0.93364740  1.0
  B  B20  1  0.00000000  0.44658398  0.56428153  1.0
  B  B21  1  0.00000000  0.55341602  0.43571847  1.0
  B  B22  1  0.00000000  0.47792434  0.28646931  1.0
  B  B23  1  0.00000000  0.52207566  0.71353069  1.0
  B  B24  1  0.00000000  0.01784395  0.78862099  1.0
  B  B25  1  0.00000000  0.98215605  0.21137901  1.0
  B  B26  1  0.00000000  0.24853411  0.08029340  1.0
  B  B27  1  0.00000000  0.75146589  0.91970660  1.0
  B  B28  1  0.00000000  0.24700607  0.57783830  1.0
  B  B29  1  0.00000000  0.75299393  0.42216170  1.0
  B  B30  1  0.00000000  0.29165029  0.23481513  1.0
  B  B31  1  0.00000000  0.70834971  0.76518487  1.0
  B  B32  1  0.00000000  0.20503968  0.73722816  1.0
  B  B33  1  0.00000000  0.79496032  0.26277184  1.0
  Ir  Ir34  1  0.50000000  0.36174311  0.67914769  1.0
  Ir  Ir35  1  0.50000000  0.63825689  0.32085231  1.0