data_image0
_chemical_formula_structural       S4Zr2
_chemical_formula_sum              "S4 Zr2"
_cell_length_a       6.481250352056861
_cell_length_b       3.667950417339604
_cell_length_c       17.88689268
_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
  S   S1        1.0  0.7585472544568155  0.23417883893398111  0.5801602685078557  1.0000
  S   S2        1.0  0.7414527458386073  0.7341788392966354  0.4198401116587904  1.0000
  S   S3        1.0  0.2585472538440371  0.7341788392966354  0.4198401116587904  1.0000
  S   S4        1.0  0.24145274522582905  0.23417883893398111  0.5801602685078557  1.0000
  Zr  Zr1       1.0  0.0  0.734175319619832  0.5265685023386634  1.0000
  Zr  Zr2       1.0  0.5000000006127783  0.2341753192571777  0.4734307373280444  1.0000