# generated using pymatgen
data_ZrSiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55425113
_cell_length_b   3.55425113
_cell_length_c   8.11758879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiS
_chemical_formula_sum   'Zr2 Si2 S2'
_cell_volume   102.54707280
_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
  Zr  Zr0  1  0.75000000  0.75000000  0.73082952  1.0
  Zr  Zr1  1  0.25000000  0.25000000  0.26917048  1.0
  Si  Si2  1  0.75000000  0.25000000  -0.00000000  1.0
  Si  Si3  1  0.25000000  0.75000000  -0.00000000  1.0
  S  S4  1  0.25000000  0.25000000  0.62254082  1.0
  S  S5  1  0.75000000  0.75000000  0.37745918  1.0