data_image0
_chemical_formula_structural       Sn4S4
_chemical_formula_sum              "Sn4 S4"
_cell_length_a       6.009443128257778
_cell_length_b       5.9515321126989775
_cell_length_c       32.37
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00011936269415

_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
  Sn  Sn1       1.0  0.9974531032960917  0.9436944282922554  0.4561999144269386  1.0000
  Sn  Sn2       1.0  0.030333747602564565  0.44369286531175234  0.5437998690145196  1.0000
  Sn  Sn3       1.0  0.5303337485798955  0.44369286391115603  0.45620013098548046  1.0000
  Sn  Sn4       1.0  0.4974531026093749  0.9436944268916572  0.5438000855730615  1.0000
  S   S1        1.0  0.9748062743852306  0.3980149664003298  0.46475495366079705  1.0000
  S   S2        1.0  0.05299377866093042  0.8980229958081347  0.5352461087426631  1.0000
  S   S3        1.0  0.5529937779742137  0.8980229944075365  0.46475389125733707  1.0000
  S   S4        1.0  0.4748062750719459  0.3980149661206884  0.5352450463392031  1.0000