data_image0
_chemical_formula_structural       ZrS2
_chemical_formula_sum              "Zr1 S2"
_cell_length_a       3.6822718035126893
_cell_length_b       3.6822718035126893
_cell_length_c       17.891326167126117
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  3.750545292411259e-21  0.0  0.4999999998008499  1.0000
  S   S1        1.0  0.6666666664258675  0.33333333380568136  0.5808147161887661  1.0000
  S   S2        1.0  0.3333333338056813  0.6666666676113627  0.4191852839718639  1.0000