# generated using pymatgen
data_ZrS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58774310
_cell_length_b   3.58774310
_cell_length_c   5.59907478
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrS
_chemical_formula_sum   'Zr2 S2'
_cell_volume   72.07073375
_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  0.81685815  1.0
  Zr  Zr1  1  0.25000000  0.25000000  0.18314185  1.0
  S  S2  1  0.75000000  0.75000000  0.30192488  1.0
  S  S3  1  0.25000000  0.25000000  0.69807512  1.0