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  0.63163179350276  0.2499999998342303  0.5661512761920892  1.0000
  Zr  Zr2       1.0  0.13159027075300656  0.750000000237474  0.433848745438187  1.0000
  S   S1        1.0  0.13164339316654539  0.2500000000608715  0.5233810101417871  1.0000
  S   S2        1.0  0.6315783816746732  0.7500000000106835  0.47661901349428415  1.0000
  S   S3        1.0  0.3322671839640702  0.24999999996028882  0.35871237631392977  1.0000
  S   S4        1.0  0.43095454502731284  0.7500000001113138  0.641287685741478  1.0000
  S   S5        1.0  0.930748968850626  0.24999999995986724  0.35874289279357774  1.0000
  S   S6        1.0  0.8324728030845367  0.7500000001117815  0.641257116532419  1.0000