# generated using pymatgen
data_Sm7SeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77589166
_cell_length_b   9.77589086
_cell_length_c   9.77589274
_cell_angle_alpha   107.90004333
_cell_angle_beta   107.90004867
_cell_angle_gamma   107.90004845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7SeI12
_chemical_formula_sum   'Sm7 Se1 I12'
_cell_volume   758.14914415
_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  0.96354978  0.89259517  0.68764575  1.0
  Sm  Sm1  1  0.03645022  0.10740483  0.31235425  1.0
  Sm  Sm2  1  0.10740483  0.31235425  0.03645022  1.0
  Sm  Sm3  1  0.31235425  0.03645022  0.10740483  1.0
  Sm  Sm4  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm5  1  0.89259517  0.68764575  0.96354978  1.0
  Sm  Sm6  1  0.68764575  0.96354978  0.89259517  1.0
  Se  Se7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.52692452  0.60994626  0.84866674  1.0
  I  I9  1  0.47307548  0.39005374  0.15133326  1.0
  I  I10  1  0.31438707  0.92278917  0.77087455  1.0
  I  I11  1  0.39005374  0.15133326  0.47307548  1.0
  I  I12  1  0.92278917  0.77087455  0.31438707  1.0
  I  I13  1  0.68561293  0.07721083  0.22912545  1.0
  I  I14  1  0.07721083  0.22912545  0.68561293  1.0
  I  I15  1  0.77087455  0.31438707  0.92278917  1.0
  I  I16  1  0.22912545  0.68561293  0.07721083  1.0
  I  I17  1  0.84866674  0.52692452  0.60994626  1.0
  I  I18  1  0.15133326  0.47307548  0.39005374  1.0
  I  I19  1  0.60994626  0.84866674  0.52692452  1.0