# generated using pymatgen
data_SmAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87603290
_cell_length_b   3.92631767
_cell_length_c   17.33764946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAsS
_chemical_formula_sum   'Sm4 As4 S4'
_cell_volume   263.85365052
_cell_formula_units_Z   4
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  0.25000000  0.23438344  0.85438211  1.0
  Sm  Sm1  1  0.75000000  0.73438344  0.64561789  1.0
  Sm  Sm2  1  0.75000000  0.76561656  0.14561789  1.0
  Sm  Sm3  1  0.25000000  0.26561656  0.35438211  1.0
  As  As4  1  0.25000000  0.79086863  0.49809339  1.0
  As  As5  1  0.75000000  0.20913137  0.50190661  1.0
  As  As6  1  0.25000000  0.70913137  0.99809339  1.0
  As  As7  1  0.75000000  0.29086863  0.00190661  1.0
  S  S8  1  0.25000000  0.23719593  0.68676253  1.0
  S  S9  1  0.25000000  0.26280407  0.18676253  1.0
  S  S10  1  0.75000000  0.76280407  0.31323747  1.0
  S  S11  1  0.75000000  0.73719593  0.81323747  1.0