data_image0
_chemical_formula_structural       Zr2S2
_chemical_formula_sum              "Zr2 S2"
_cell_length_a       3.571820178391906
_cell_length_b       3.571820178391906
_cell_length_c       20.663152147972458
_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  0.6666666667712314  0.33333333309224616  0.43105144492070996  1.0000
  Zr  Zr2       1.0  0.6666666667712314  0.33333333309224616  0.5689484545151339  1.0000
  S   S1        1.0  0.33333333309224616  0.6666666661844923  0.3629170189668196  1.0000
  S   S2        1.0  0.33333333309224616  0.6666666661844923  0.6370829230569118  1.0000