# generated using pymatgen
data_SmScB6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56027947
_cell_length_b   9.19658723
_cell_length_c   11.62163849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmScB6Mo
_chemical_formula_sum   'Sm4 Sc4 B24 Mo4'
_cell_volume   380.52057701
_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  0.32049198  0.41493680  1.0
  Sm  Sm1  1  0.00000000  0.67950802  0.58506320  1.0
  Sm  Sm2  1  0.00000000  0.82049198  0.08506320  1.0
  Sm  Sm3  1  0.00000000  0.17950802  0.91493680  1.0
  Sc  Sc4  1  0.00000000  0.94467838  0.37129649  1.0
  Sc  Sc5  1  0.00000000  0.05532162  0.62870351  1.0
  Sc  Sc6  1  0.00000000  0.44467838  0.12870351  1.0
  Sc  Sc7  1  0.00000000  0.55532162  0.87129649  1.0
  B  B8  1  0.50000000  0.55384611  0.43246744  1.0
  B  B9  1  0.50000000  0.44615389  0.56753256  1.0
  B  B10  1  0.50000000  0.05384611  0.06753256  1.0
  B  B11  1  0.50000000  0.94615389  0.93246744  1.0
  B  B12  1  0.50000000  0.75759422  0.41828154  1.0
  B  B13  1  0.50000000  0.24240578  0.58171846  1.0
  B  B14  1  0.50000000  0.25759422  0.08171846  1.0
  B  B15  1  0.50000000  0.74240578  0.91828154  1.0
  B  B16  1  0.50000000  0.79753565  0.26451768  1.0
  B  B17  1  0.50000000  0.20246435  0.73548232  1.0
  B  B18  1  0.50000000  0.29753565  0.23548232  1.0
  B  B19  1  0.50000000  0.70246435  0.76451768  1.0
  B  B20  1  0.50000000  0.62801900  0.18132040  1.0
  B  B21  1  0.50000000  0.37198100  0.81867960  1.0
  B  B22  1  0.50000000  0.12801900  0.31867960  1.0
  B  B23  1  0.50000000  0.87198100  0.68132040  1.0
  B  B24  1  0.50000000  0.98009828  0.21543834  1.0
  B  B25  1  0.50000000  0.01990172  0.78456166  1.0
  B  B26  1  0.50000000  0.48009828  0.28456166  1.0
  B  B27  1  0.50000000  0.51990172  0.71543834  1.0
  B  B28  1  0.50000000  0.59364113  0.02536877  1.0
  B  B29  1  0.50000000  0.40635887  0.97463123  1.0
  B  B30  1  0.50000000  0.09364113  0.47463123  1.0
  B  B31  1  0.50000000  0.90635887  0.52536877  1.0
  Mo  Mo32  1  0.00000000  0.64219028  0.31755874  1.0
  Mo  Mo33  1  0.00000000  0.35780972  0.68244126  1.0
  Mo  Mo34  1  0.00000000  0.14219028  0.18244126  1.0
  Mo  Mo35  1  0.00000000  0.85780972  0.81755874  1.0