data_image0
_chemical_formula_structural       S6Zr2
_chemical_formula_sum              "S6 Zr2"
_cell_length_a       5.17522530977087
_cell_length_b       3.648882
_cell_length_c       9.15442397952733
_cell_angle_alpha    90.0
_cell_angle_beta     97.08265602759309
_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  0.8771271953999997  0.249999863  0.1718558683  1.0000
  S   S2        1.0  0.47642535169999994  0.249999863  0.1741639874  1.0000
  S   S3        1.0  0.2378102005  0.7499995889  0.4454783931  1.0000
  S   S4        1.0  0.7621901859  0.249999863  0.5545216066  1.0000
  S   S5        1.0  0.5235750347  0.7499995889  0.8258360124  1.0000
  S   S6        1.0  0.12287319099999999  0.7499995889  0.8281441313999999  1.0000
  Zr  Zr1       1.0  0.7166483584999999  0.7499995889  0.3469763155999999  1.0000
  Zr  Zr2       1.0  0.2833520279  0.249999863  0.6530236841  1.0000