# generated using pymatgen
data_GdSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42444184
_cell_length_b   9.42444184
_cell_length_c   4.44128200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdSI
_chemical_formula_sum   'Gd3 S3 I3'
_cell_volume   341.62548668
_cell_formula_units_Z   3
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
  Gd  Gd0  1  0.33866100  0.16933100  0.50000000  1.0
  Gd  Gd1  1  0.83066900  0.66133900  0.50000000  1.0
  Gd  Gd2  1  0.83066900  0.16933100  0.50000000  1.0
  S  S3  1  0.13616700  0.86383300  0.50000000  1.0
  S  S4  1  0.72766500  0.86383300  0.50000000  1.0
  S  S5  1  0.13616700  0.27233500  0.50000000  1.0
  I  I6  1  0.95489100  0.47744600  0.00000000  1.0
  I  I7  1  0.52255400  0.04510900  0.00000000  1.0
  I  I8  1  0.52255400  0.47744600  0.00000000  1.0