# generated using pymatgen
data_Ac2Sm2B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08637191
_cell_length_b   10.08637076
_cell_length_c   10.03993578
_cell_angle_alpha   75.25709287
_cell_angle_beta   75.25709367
_cell_angle_gamma   24.86414407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2Sm2B4I5
_chemical_formula_sum   'Ac2 Sm2 B4 I5'
_cell_volume   414.63233039
_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
  Ac  Ac0  1  0.13777944  0.13777944  0.92580292  1.0
  Ac  Ac1  1  0.86427754  0.86427754  0.07278825  1.0
  Sm  Sm2  1  0.50224532  0.50224532  0.75421603  1.0
  Sm  Sm3  1  0.49980641  0.49980641  0.24448654  1.0
  B  B4  1  0.31655279  0.68549341  0.99935259  1.0
  B  B5  1  0.68549341  0.31655279  0.99935259  1.0
  B  B6  1  0.00136154  0.00136154  0.09611703  1.0
  B  B7  1  0.00068132  0.00068132  0.90260303  1.0
  I  I8  1  0.67053740  0.67053740  0.65924400  1.0
  I  I9  1  0.33148356  0.33148356  0.33952617  1.0
  I  I10  1  0.32944275  0.32944275  0.83247068  1.0
  I  I11  1  0.67292773  0.67292773  0.16538960  1.0
  I  I12  1  0.00171079  0.00171079  0.49885057  1.0