data_image0
_chemical_formula_structural       S2Zr2
_chemical_formula_sum              "S2 Zr2"
_cell_length_a       4.195324899541896
_cell_length_b       4.196193957190388
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99314918179452

_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
  S   S1        1.0  0.9999973847971461  6.275002658987363e-05  0.41178896218642513  1.0000
  S   S2        1.0  0.3333359473113487  0.6666039197192322  0.5882790184434485  1.0000
  Zr  Zr1       1.0  2.76565305722515e-06  4.004114829799786e-05  0.5509402154982852  1.0000
  Zr  Zr2       1.0  0.33333056407183187  0.6666266285975241  0.4491297809566446  1.0000