data_image0
_chemical_formula_structural       Zr2S6
_chemical_formula_sum              "Zr2 S6"
_cell_length_a       5.192127805557579
_cell_length_b       3.64534624207569
_cell_length_c       20.90188465699195
_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
  Zr  Zr1       1.0  0.631631793903389  0.24999999985764793  0.5661512760305802  1.0000
  Zr  Zr2       1.0  0.13159027003701193  0.7499999995729438  0.4338487456424917  1.0000
  S   S1        1.0  0.1316433927663301  0.24999999985764793  0.52338101035021  1.0000
  S   S2        1.0  0.631578382275173  0.7499999995729438  0.4766190137149907  1.0000
  S   S3        1.0  0.33226718305227365  0.24999999985764793  0.35871237608671336  1.0000
  S   S4        1.0  0.43095454576540587  0.7499999995729438  0.6412876857741222  1.0000
  S   S5        1.0  0.9307489696969454  0.24999999985764793  0.3587428929520806  1.0000
  S   S6        1.0  0.832472803418565  0.7499999995729438  0.6412571167603474  1.0000