# generated using pymatgen
data_YScMnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42953650
_cell_length_b   8.96204223
_cell_length_c   11.33600382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScMnB6
_chemical_formula_sum   'Y4 Sc4 Mn4 B24'
_cell_volume   348.41945668
_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
  Y  Y0  1  0.00000000  0.32129086  0.41500015  1.0
  Y  Y1  1  0.00000000  0.67870914  0.58499985  1.0
  Y  Y2  1  0.00000000  0.82129086  0.08499985  1.0
  Y  Y3  1  0.00000000  0.17870914  0.91500015  1.0
  Sc  Sc4  1  0.00000000  0.94411378  0.37108030  1.0
  Sc  Sc5  1  0.00000000  0.05588622  0.62891970  1.0
  Sc  Sc6  1  0.00000000  0.44411378  0.12891970  1.0
  Sc  Sc7  1  0.00000000  0.55588622  0.87108030  1.0
  Mn  Mn8  1  0.00000000  0.64122270  0.31778634  1.0
  Mn  Mn9  1  0.00000000  0.35877730  0.68221366  1.0
  Mn  Mn10  1  0.00000000  0.14122270  0.18221366  1.0
  Mn  Mn11  1  0.00000000  0.85877730  0.81778634  1.0
  B  B12  1  0.50000000  0.55554906  0.43122388  1.0
  B  B13  1  0.50000000  0.44445094  0.56877612  1.0
  B  B14  1  0.50000000  0.05554906  0.06877612  1.0
  B  B15  1  0.50000000  0.94445094  0.93122388  1.0
  B  B16  1  0.50000000  0.75230215  0.41723993  1.0
  B  B17  1  0.50000000  0.24769785  0.58276007  1.0
  B  B18  1  0.50000000  0.25230215  0.08276007  1.0
  B  B19  1  0.50000000  0.74769785  0.91723993  1.0
  B  B20  1  0.50000000  0.79323724  0.26507344  1.0
  B  B21  1  0.50000000  0.20676276  0.73492656  1.0
  B  B22  1  0.50000000  0.29323724  0.23492656  1.0
  B  B23  1  0.50000000  0.70676276  0.76507344  1.0
  B  B24  1  0.50000000  0.62946983  0.18365996  1.0
  B  B25  1  0.50000000  0.37053017  0.81634004  1.0
  B  B26  1  0.50000000  0.12946983  0.31634004  1.0
  B  B27  1  0.50000000  0.87053017  0.68365996  1.0
  B  B28  1  0.50000000  0.98331474  0.21386538  1.0
  B  B29  1  0.50000000  0.01668526  0.78613462  1.0
  B  B30  1  0.50000000  0.48331474  0.28613462  1.0
  B  B31  1  0.50000000  0.51668526  0.71386538  1.0
  B  B32  1  0.50000000  0.59848706  0.02655770  1.0
  B  B33  1  0.50000000  0.40151294  0.97344230  1.0
  B  B34  1  0.50000000  0.09848706  0.47344230  1.0
  B  B35  1  0.50000000  0.90151294  0.52655770  1.0