data_image0
_chemical_formula_structural       Br4S4
_chemical_formula_sum              "Br4 S4"
_cell_length_a       4.4215318153056415
_cell_length_b       4.4215318153056415
_cell_length_c       14.085554
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    73.2534926804022

_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
  Br  Br1       1.0  0.0543260601  0.06018302729999999  0.1634632191  1.0000
  Br  Br2       1.0  0.5543271873  0.5601841545  0.33653628389999996  1.0000
  Br  Br3       1.0  0.43981669090000003  0.4456736581  0.6634634320999999  1.0000
  Br  Br4       1.0  0.9398164091  0.9456733763  0.8365364969  1.0000
  S   S1        1.0  0.8066334873  0.39977708270000006  0.044948888799999996  1.0000
  S   S2        1.0  0.3066323500000001  0.89977822  0.45505132419999994  1.0000
  S   S3        1.0  0.10022121640000003  0.6933670863  0.5449483918  1.0000
  S   S4        1.0  0.6002223537000001  0.1933659491  0.9550508272999999  1.0000