# generated using pymatgen
data_SmScMnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47582521
_cell_length_b   9.02431296
_cell_length_c   11.43474216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmScMnB6
_chemical_formula_sum   'Sm4 Sc4 Mn4 B24'
_cell_volume   358.67280835
_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
  Sm  Sm0  1  0.00000000  0.32194453  0.41526306  1.0
  Sm  Sm1  1  0.00000000  0.67805547  0.58473694  1.0
  Sm  Sm2  1  0.00000000  0.82194453  0.08473694  1.0
  Sm  Sm3  1  0.00000000  0.17805547  0.91526306  1.0
  Sc  Sc4  1  0.00000000  0.94452539  0.37113945  1.0
  Sc  Sc5  1  0.00000000  0.05547461  0.62886055  1.0
  Sc  Sc6  1  0.00000000  0.44452539  0.12886055  1.0
  Sc  Sc7  1  0.00000000  0.55547461  0.87113945  1.0
  Mn  Mn8  1  0.00000000  0.64193561  0.31691372  1.0
  Mn  Mn9  1  0.00000000  0.35806439  0.68308628  1.0
  Mn  Mn10  1  0.00000000  0.14193561  0.18308628  1.0
  Mn  Mn11  1  0.00000000  0.85806439  0.81691372  1.0
  B  B12  1  0.50000000  0.55709609  0.42900913  1.0
  B  B13  1  0.50000000  0.44290391  0.57099087  1.0
  B  B14  1  0.50000000  0.05709609  0.07099087  1.0
  B  B15  1  0.50000000  0.94290391  0.92900913  1.0
  B  B16  1  0.50000000  0.75322060  0.41577267  1.0
  B  B17  1  0.50000000  0.24677940  0.58422733  1.0
  B  B18  1  0.50000000  0.25322060  0.08422733  1.0
  B  B19  1  0.50000000  0.74677940  0.91577267  1.0
  B  B20  1  0.50000000  0.79326889  0.26562466  1.0
  B  B21  1  0.50000000  0.20673111  0.73437534  1.0
  B  B22  1  0.50000000  0.29326889  0.23437534  1.0
  B  B23  1  0.50000000  0.70673111  0.76562466  1.0
  B  B24  1  0.50000000  0.62900832  0.18378107  1.0
  B  B25  1  0.50000000  0.37099168  0.81621893  1.0
  B  B26  1  0.50000000  0.12900832  0.31621893  1.0
  B  B27  1  0.50000000  0.87099168  0.68378107  1.0
  B  B28  1  0.50000000  0.98442449  0.21500352  1.0
  B  B29  1  0.50000000  0.01557551  0.78499648  1.0
  B  B30  1  0.50000000  0.48442449  0.28499648  1.0
  B  B31  1  0.50000000  0.51557551  0.71500352  1.0
  B  B32  1  0.50000000  0.59693375  0.02587694  1.0
  B  B33  1  0.50000000  0.40306625  0.97412306  1.0
  B  B34  1  0.50000000  0.09693375  0.47412306  1.0
  B  B35  1  0.50000000  0.90306625  0.52587694  1.0