# generated using pymatgen
data_TbSm6BeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80343109
_cell_length_b   9.80343045
_cell_length_c   9.80343075
_cell_angle_alpha   107.46822270
_cell_angle_beta   107.46822872
_cell_angle_gamma   107.46822894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSm6BeI12
_chemical_formula_sum   'Tb1 Sm6 Be1 I12'
_cell_volume   774.41644732
_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
  Tb  Tb0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.90034407  0.69712365  0.97151618  1.0
  Sm  Sm2  1  0.97151618  0.90034407  0.69712365  1.0
  Sm  Sm3  1  0.69712365  0.97151618  0.90034407  1.0
  Sm  Sm4  1  0.09965593  0.30287635  0.02848382  1.0
  Sm  Sm5  1  0.02848382  0.09965593  0.30287635  1.0
  Sm  Sm6  1  0.30287635  0.02848382  0.09965593  1.0
  Be  Be7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.77042573  0.31806225  0.92488149  1.0
  I  I9  1  0.92488149  0.77042573  0.31806225  1.0
  I  I10  1  0.31806225  0.92488149  0.77042573  1.0
  I  I11  1  0.22957427  0.68193775  0.07511851  1.0
  I  I12  1  0.07511851  0.22957427  0.68193775  1.0
  I  I13  1  0.68193775  0.07511851  0.22957427  1.0
  I  I14  1  0.52832510  0.60842024  0.83866611  1.0
  I  I15  1  0.83866611  0.52832510  0.60842024  1.0
  I  I16  1  0.60842024  0.83866611  0.52832510  1.0
  I  I17  1  0.47167490  0.39157976  0.16133389  1.0
  I  I18  1  0.16133389  0.47167490  0.39157976  1.0
  I  I19  1  0.39157976  0.16133389  0.47167490  1.0