# generated using pymatgen
data_Sm2BiI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46841254
_cell_length_b   4.46841236
_cell_length_c   11.39103740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2BiI2
_chemical_formula_sum   'Sm2 Bi1 I2'
_cell_volume   196.97013279
_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  0.33333400  0.66666800  0.34432443  1.0
  Sm  Sm1  1  0.66666600  0.33333400  0.65569512  1.0
  Bi  Bi2  1  0.00000000  0.00000000  0.49999659  1.0
  I  I3  1  0.66666600  0.33333400  0.17334129  1.0
  I  I4  1  0.33333400  0.66666800  0.82664156  1.0