# generated using pymatgen
data_Mg3Sc5(FeB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30762040
_cell_length_b   8.73652140
_cell_length_c   11.01750997
_cell_angle_alpha   90.05761349
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sc5(FeB6)4
_chemical_formula_sum   'Mg3 Sc5 Fe4 B24'
_cell_volume   318.37388639
_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
  Mg  Mg0  1  0.00000000  0.94296308  0.36982809  1.0
  Mg  Mg1  1  0.00000000  0.05734311  0.63053674  1.0
  Mg  Mg2  1  0.00000000  0.55607660  0.87061905  1.0
  Sc  Sc3  1  0.00000000  0.17752375  0.91327300  1.0
  Sc  Sc4  1  0.00000000  0.82180207  0.08340489  1.0
  Sc  Sc5  1  0.00000000  0.67468324  0.58808806  1.0
  Sc  Sc6  1  0.00000000  0.32466418  0.41593239  1.0
  Sc  Sc7  1  0.00000000  0.44334065  0.12911526  1.0
  Fe  Fe8  1  0.00000000  0.13891500  0.18209536  1.0
  Fe  Fe9  1  0.00000000  0.35960835  0.67885450  1.0
  Fe  Fe10  1  0.00000000  0.86074877  0.81815236  1.0
  Fe  Fe11  1  0.00000000  0.64094548  0.32111354  1.0
  B  B12  1  0.50000000  0.37031771  0.81570824  1.0
  B  B13  1  0.50000000  0.98113538  0.21212067  1.0
  B  B14  1  0.50000000  0.55589188  0.43425615  1.0
  B  B15  1  0.50000000  0.29159117  0.23687542  1.0
  B  B16  1  0.50000000  0.20722492  0.73613785  1.0
  B  B17  1  0.50000000  0.09532823  0.47409204  1.0
  B  B18  1  0.50000000  0.79405068  0.26389826  1.0
  B  B19  1  0.50000000  0.44458700  0.56675204  1.0
  B  B20  1  0.50000000  0.24683330  0.58029361  1.0
  B  B21  1  0.50000000  0.48293310  0.28871970  1.0
  B  B22  1  0.50000000  0.70729900  0.76326402  1.0
  B  B23  1  0.50000000  0.75323617  0.42013697  1.0
  B  B24  1  0.50000000  0.51795356  0.71221540  1.0
  B  B25  1  0.50000000  0.90431998  0.52647721  1.0
  B  B26  1  0.50000000  0.05357609  0.06675129  1.0
  B  B27  1  0.50000000  0.60158751  0.02631089  1.0
  B  B28  1  0.50000000  0.74865910  0.91795059  1.0
  B  B29  1  0.50000000  0.01932942  0.78784381  1.0
  B  B30  1  0.50000000  0.39932468  0.97147823  1.0
  B  B31  1  0.50000000  0.94525213  0.93244070  1.0
  B  B32  1  0.50000000  0.63167186  0.18391360  1.0
  B  B33  1  0.50000000  0.24972420  0.08055374  1.0
  B  B34  1  0.50000000  0.87103243  0.68275049  1.0
  B  B35  1  0.50000000  0.12852423  0.31804983  1.0