# generated using pymatgen
data_Sm2FeOsI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14651127
_cell_length_b   4.14651140
_cell_length_c   17.41751818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2FeOsI
_chemical_formula_sum   'Sm4 Fe2 Os2 I2'
_cell_volume   259.34779111
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.10610877  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.60610877  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.89317723  1.0
  Sm  Sm3  1  0.00000000  0.00000000  0.39317723  1.0
  Fe  Fe4  1  0.33333300  0.66666700  0.00573711  1.0
  Fe  Fe5  1  0.66666700  0.33333300  0.50573711  1.0
  Os  Os6  1  0.66666700  0.33333300  0.99508020  1.0
  Os  Os7  1  0.33333300  0.66666700  0.49508020  1.0
  I  I8  1  0.66666700  0.33333300  0.24989769  1.0
  I  I9  1  0.33333300  0.66666700  0.74989769  1.0