# generated using pymatgen
data_SrSm6RuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89229742
_cell_length_b   9.89229746
_cell_length_c   9.89229680
_cell_angle_alpha   106.40472254
_cell_angle_beta   106.40472398
_cell_angle_gamma   106.40472233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSm6RuI12
_chemical_formula_sum   'Sr1 Sm6 Ru1 I12'
_cell_volume   818.92831088
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.90555915  0.70143013  0.97938682  1.0
  Sm  Sm2  1  0.97938682  0.90555915  0.70143013  1.0
  Sm  Sm3  1  0.70143013  0.97938682  0.90555915  1.0
  Sm  Sm4  1  0.09444085  0.29856987  0.02061318  1.0
  Sm  Sm5  1  0.02061318  0.09444085  0.29856987  1.0
  Sm  Sm6  1  0.29856987  0.02061318  0.09444085  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.62843359  0.86095777  0.54756961  1.0
  I  I9  1  0.54756961  0.62843359  0.86095777  1.0
  I  I10  1  0.86095777  0.54756961  0.62843359  1.0
  I  I11  1  0.37156641  0.13904223  0.45243039  1.0
  I  I12  1  0.45243039  0.37156641  0.13904223  1.0
  I  I13  1  0.13904223  0.45243039  0.37156641  1.0
  I  I14  1  0.67902677  0.07571573  0.22775459  1.0
  I  I15  1  0.22775459  0.67902677  0.07571573  1.0
  I  I16  1  0.07571573  0.22775459  0.67902677  1.0
  I  I17  1  0.32097323  0.92428427  0.77224541  1.0
  I  I18  1  0.77224541  0.32097323  0.92428427  1.0
  I  I19  1  0.92428427  0.77224541  0.32097323  1.0