# generated using pymatgen
data_SmOsI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22915792
_cell_length_b   4.22915784
_cell_length_c   12.56482365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmOsI
_chemical_formula_sum   'Sm2 Os2 I2'
_cell_volume   194.62329615
_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  0.16212113  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.83787887  1.0
  Os  Os2  1  0.66666600  0.33333300  0.00741765  1.0
  Os  Os3  1  0.33333300  0.66666700  0.99258235  1.0
  I  I4  1  0.33333300  0.66666700  0.33180773  1.0
  I  I5  1  0.66666600  0.33333300  0.66819227  1.0