# generated using pymatgen
data_Sm4CrB16Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59195586
_cell_length_b   6.01106400
_cell_length_c   11.63023299
_cell_angle_alpha   89.80817535
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4CrB16Ru3
_chemical_formula_sum   'Sm4 Cr1 B16 Ru3'
_cell_volume   251.11249528
_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  0.62482377  0.34947959  1.0
  Sm  Sm1  1  0.00000000  0.37425836  0.65068140  1.0
  Sm  Sm2  1  0.00000000  0.12673755  0.14969063  1.0
  Sm  Sm3  1  0.00000000  0.87258076  0.84921554  1.0
  Cr  Cr4  1  0.00000000  0.86689556  0.58804769  1.0
  B  B5  1  0.50000000  0.78403458  0.18458173  1.0
  B  B6  1  0.50000000  0.21730110  0.81534707  1.0
  B  B7  1  0.50000000  0.28284110  0.31680684  1.0
  B  B8  1  0.50000000  0.71664237  0.68404417  1.0
  B  B9  1  0.50000000  0.86109158  0.03094742  1.0
  B  B10  1  0.50000000  0.13928204  0.96860729  1.0
  B  B11  1  0.50000000  0.36089220  0.46851197  1.0
  B  B12  1  0.50000000  0.63927451  0.53151284  1.0
  B  B13  1  0.50000000  0.88919734  0.45396163  1.0
  B  B14  1  0.50000000  0.11192691  0.54516131  1.0
  B  B15  1  0.50000000  0.38908567  0.04572620  1.0
  B  B16  1  0.50000000  0.61139004  0.95427233  1.0
  B  B17  1  0.50000000  0.97618396  0.31052856  1.0
  B  B18  1  0.50000000  0.02416303  0.68915120  1.0
  B  B19  1  0.50000000  0.47400944  0.18970100  1.0
  B  B20  1  0.50000000  0.52530961  0.81012177  1.0
  Ru  Ru21  1  0.00000000  0.63972579  0.09238091  1.0
  Ru  Ru22  1  0.00000000  0.36161759  0.90957276  1.0
  Ru  Ru23  1  0.00000000  0.13073517  0.41194717  1.0