# generated using pymatgen
data_Sm7BI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73359945
_cell_length_b   9.73359930
_cell_length_c   9.73360056
_cell_angle_alpha   107.57120749
_cell_angle_beta   107.57120902
_cell_angle_gamma   107.57119416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7BI12
_chemical_formula_sum   'Sm7 B1 I12'
_cell_volume   755.72248406
_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  0.89945313  0.96816940  0.70331926  1.0
  Sm  Sm1  1  0.70331926  0.89945313  0.96816940  1.0
  Sm  Sm2  1  0.96816940  0.70331926  0.89945313  1.0
  Sm  Sm3  1  0.10054687  0.03183060  0.29668074  1.0
  Sm  Sm4  1  0.29668074  0.10054687  0.03183060  1.0
  Sm  Sm5  1  0.03183060  0.29668074  0.10054687  1.0
  Sm  Sm6  1  0.50000000  0.50000000  0.50000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.92383284  0.31533699  0.77196638  1.0
  I  I9  1  0.77196638  0.92383284  0.31533699  1.0
  I  I10  1  0.31533699  0.77196638  0.92383284  1.0
  I  I11  1  0.07616716  0.68466301  0.22803362  1.0
  I  I12  1  0.22803362  0.07616716  0.68466301  1.0
  I  I13  1  0.68466301  0.22803362  0.07616716  1.0
  I  I14  1  0.52760629  0.84774093  0.60990862  1.0
  I  I15  1  0.60990862  0.52760629  0.84774093  1.0
  I  I16  1  0.84774093  0.60990862  0.52760629  1.0
  I  I17  1  0.47239371  0.15225907  0.39009138  1.0
  I  I18  1  0.39009138  0.47239371  0.15225907  1.0
  I  I19  1  0.15225907  0.39009138  0.47239371  1.0