# generated using pymatgen
data_CaSm3(B8Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42292514
_cell_length_b   6.42914577
_cell_length_c   9.99886568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.92830533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm3(B8Ru7)2
_chemical_formula_sum   'Ca1 Sm3 B16 Ru14'
_cell_volume   412.89205655
_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
  Ca  Ca0  1  0.73380086  0.87758792  0.00000000  1.0
  Sm  Sm1  1  0.12519719  0.73512962  0.50000000  1.0
  Sm  Sm2  1  0.87572583  0.26775309  0.50000000  1.0
  Sm  Sm3  1  0.27014677  0.12338917  0.00000000  1.0
  B  B4  1  0.49944792  0.99959891  0.58912345  1.0
  B  B5  1  0.49944792  0.99959891  0.41087655  1.0
  B  B6  1  0.89659579  0.27457923  0.16946247  1.0
  B  B7  1  0.10310951  0.72636032  0.83115915  1.0
  B  B8  1  0.50040105  0.49932808  0.34165347  1.0
  B  B9  1  0.50081233  0.49941743  0.84156707  1.0
  B  B10  1  0.27144432  0.10233944  0.66859693  1.0
  B  B11  1  0.10310951  0.72636032  0.16884085  1.0
  B  B12  1  0.27144432  0.10233944  0.33140307  1.0
  B  B13  1  0.89659579  0.27457923  0.83053753  1.0
  B  B14  1  0.50040105  0.49932808  0.65834653  1.0
  B  B15  1  0.50081233  0.49941743  0.15843293  1.0
  B  B16  1  0.99992932  0.50078257  0.91105844  1.0
  B  B17  1  0.72644498  0.89648071  0.66909541  1.0
  B  B18  1  0.72644498  0.89648071  0.33090459  1.0
  B  B19  1  0.99992932  0.50078257  0.08894156  1.0
  Ru  Ru20  1  0.20441932  0.39841282  0.75292352  1.0
  Ru  Ru21  1  0.39896112  0.28557159  0.50000000  1.0
  Ru  Ru22  1  0.39811589  0.79498756  0.25400679  1.0
  Ru  Ru23  1  0.20441932  0.39841282  0.24707648  1.0
  Ru  Ru24  1  0.60016384  0.71320950  0.50000000  1.0
  Ru  Ru25  1  0.60149342  0.20431464  0.74619752  1.0
  Ru  Ru26  1  0.28642372  0.59872442  0.00000000  1.0
  Ru  Ru27  1  0.71376275  0.40280683  0.00000000  1.0
  Ru  Ru28  1  0.79653918  0.60128842  0.24756808  1.0
  Ru  Ru29  1  0.79653918  0.60128842  0.75243192  1.0
  Ru  Ru30  1  0.39811589  0.79498756  0.74599321  1.0
  Ru  Ru31  1  0.99915490  0.00002180  0.24965415  1.0
  Ru  Ru32  1  0.60149342  0.20431464  0.25380248  1.0
  Ru  Ru33  1  0.99915490  0.00002180  0.75034585  1.0