# generated using pymatgen
data_Sm12B3SCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71286109
_cell_length_b   9.71275389
_cell_length_c   9.71286128
_cell_angle_alpha   109.75598074
_cell_angle_beta   109.75470936
_cell_angle_gamma   109.75598422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm12B3SCl12
_chemical_formula_sum   'Sm12 B3 S1 Cl12'
_cell_volume   697.84218972
_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  0.47803015  0.49819846  0.23170824  1.0
  Sm  Sm1  1  0.75000432  0.23499832  0.26500615  1.0
  Sm  Sm2  1  0.75000761  0.01361664  0.48638640  1.0
  Sm  Sm3  1  0.23169664  0.47802453  0.49820045  1.0
  Sm  Sm4  1  0.26500140  0.75000000  0.23499860  1.0
  Sm  Sm5  1  0.02196964  0.26829514  0.00180021  1.0
  Sm  Sm6  1  0.00179955  0.02197547  0.26830336  1.0
  Sm  Sm7  1  0.48638839  0.75000000  0.01361161  1.0
  Sm  Sm8  1  0.49819979  0.23170486  0.47803036  1.0
  Sm  Sm9  1  0.01361360  0.48638336  0.74999239  1.0
  Sm  Sm10  1  0.26829176  0.00180154  0.02196985  1.0
  Sm  Sm11  1  0.23499385  0.26500168  0.74999568  1.0
  B  B12  1  0.49817547  0.00183143  0.25000202  1.0
  B  B13  1  0.00183261  0.25000000  0.49816739  1.0
  B  B14  1  0.24999798  0.49816857  0.00182453  1.0
  S  S15  1  0.24999617  0.25000000  0.25000383  1.0
  Cl  Cl16  1  0.25000058  0.75641137  0.74358293  1.0
  Cl  Cl17  1  0.51006187  0.50498312  0.75462875  1.0
  Cl  Cl18  1  0.98993316  0.74536909  0.99501345  1.0
  Cl  Cl19  1  0.74358729  0.25000000  0.75641271  1.0
  Cl  Cl20  1  0.99501612  0.98993731  0.74537134  1.0
  Cl  Cl21  1  0.25000440  0.99612478  0.50387421  1.0
  Cl  Cl22  1  0.75462866  0.51006269  0.50498388  1.0
  Cl  Cl23  1  0.50386832  0.25000000  0.99613168  1.0
  Cl  Cl24  1  0.75641707  0.74358863  0.24999942  1.0
  Cl  Cl25  1  0.74537125  0.99501688  0.98993813  1.0
  Cl  Cl26  1  0.99612579  0.50387522  0.24999560  1.0
  Cl  Cl27  1  0.50498655  0.75463091  0.51006684  1.0