data_image0
_chemical_formula_structural       ZrS2
_chemical_formula_sum              "Zr1 S2"
_cell_length_a       3.9149030274703174
_cell_length_b       3.9149029221682636
_cell_length_c       18.959797974644665
_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  7.395992638779394e-19  0.0  0.5000000460277936  1.0000
  S   S1        1.0  1.4087848201094256e-18  0.4999999997230756  0.5752404584998962  1.0000
  S   S2        1.0  0.4999999990459128  0.0  0.4247596367202817  1.0000