# generated using pymatgen
data_Sm4MnB16Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60028287
_cell_length_b   6.01194530
_cell_length_c   11.63629303
_cell_angle_alpha   89.85382403
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4MnB16Ru3
_chemical_formula_sum   'Sm4 Mn1 B16 Ru3'
_cell_volume   251.86329508
_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
  Sm  Sm0  1  0.00000000  0.37483375  0.65026190  1.0
  Sm  Sm1  1  0.00000000  0.62698248  0.35013738  1.0
  Sm  Sm2  1  0.00000000  0.87248286  0.84960686  1.0
  Sm  Sm3  1  0.00000000  0.12759658  0.15016118  1.0
  Mn  Mn4  1  0.00000000  0.13472919  0.41079538  1.0
  B  B5  1  0.50000000  0.02314426  0.69028553  1.0
  B  B6  1  0.50000000  0.97698193  0.31027797  1.0
  B  B7  1  0.50000000  0.52572076  0.81036871  1.0
  B  B8  1  0.50000000  0.47470835  0.19001454  1.0
  B  B9  1  0.50000000  0.38867293  0.04582248  1.0
  B  B10  1  0.50000000  0.61072757  0.95425716  1.0
  B  B11  1  0.50000000  0.88670828  0.45564006  1.0
  B  B12  1  0.50000000  0.10979891  0.54744862  1.0
  B  B13  1  0.50000000  0.28381860  0.31506528  1.0
  B  B14  1  0.50000000  0.71744337  0.68348033  1.0
  B  B15  1  0.50000000  0.78257798  0.18471901  1.0
  B  B16  1  0.50000000  0.21606953  0.81537966  1.0
  B  B17  1  0.50000000  0.36000505  0.46831727  1.0
  B  B18  1  0.50000000  0.63895422  0.53175759  1.0
  B  B19  1  0.50000000  0.86058728  0.03129589  1.0
  B  B20  1  0.50000000  0.13881639  0.96922968  1.0
  Ru  Ru21  1  0.00000000  0.35973507  0.90799033  1.0
  Ru  Ru22  1  0.00000000  0.63878744  0.09011367  1.0
  Ru  Ru23  1  0.00000000  0.87011622  0.58757353  1.0