# generated using pymatgen
data_Sm7BeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79745745
_cell_length_b   9.79745812
_cell_length_c   9.79745848
_cell_angle_alpha   107.54414163
_cell_angle_beta   107.54414372
_cell_angle_gamma   107.54414378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7BeI12
_chemical_formula_sum   'Sm7 Be1 I12'
_cell_volume   771.30276678
_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  0.10063573  0.03000784  0.30495856  1.0
  Sm  Sm1  1  0.30495856  0.10063573  0.03000784  1.0
  Sm  Sm2  1  0.03000784  0.30495856  0.10063573  1.0
  Sm  Sm3  1  0.89936427  0.96999216  0.69504144  1.0
  Sm  Sm4  1  0.69504144  0.89936427  0.96999216  1.0
  Sm  Sm5  1  0.96999216  0.69504144  0.89936427  1.0
  Sm  Sm6  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07635687  0.68320368  0.23087602  1.0
  I  I9  1  0.23087602  0.07635687  0.68320368  1.0
  I  I10  1  0.68320368  0.23087602  0.07635687  1.0
  I  I11  1  0.92364313  0.31679632  0.76912398  1.0
  I  I12  1  0.76912398  0.92364313  0.31679632  1.0
  I  I13  1  0.31679632  0.76912398  0.92364313  1.0
  I  I14  1  0.47160108  0.15526012  0.38998315  1.0
  I  I15  1  0.38998315  0.47160108  0.15526012  1.0
  I  I16  1  0.15526012  0.38998315  0.47160108  1.0
  I  I17  1  0.52839892  0.84473988  0.61001685  1.0
  I  I18  1  0.61001685  0.52839892  0.84473988  1.0
  I  I19  1  0.84473988  0.61001685  0.52839892  1.0