data_image0
_chemical_formula_structural       ZrSZrS
_chemical_formula_sum              "Zr2 S2"
_cell_length_a       4.151810833473248
_cell_length_b       4.151945937420996
_cell_length_c       17.78751582
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Zr1       1.0  0.0  0.001981355278703345  0.5338823552484127  1.0000
  S   S1        1.0  0.9999999999999999  0.5019355288846784  0.6267996966425186  1.0000
  Zr  Zr2       1.0  0.5000000007860126  0.5020037210057386  0.5338150366856569  1.0000
  S   S2        1.0  0.9999999999999999  0.5020295354073748  0.44096873275472376  1.0000