data_image0
_chemical_formula_structural       I4
_chemical_formula_sum              "I4"
_cell_length_a       4.554786977464149
_cell_length_b       4.554786977464149
_cell_length_c       9.707193
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    60.70930610714352

_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
  I   I1        1.0  0.1648661475  0.8351341069  0.12204558  1.0000
  I   I2        1.0  0.6648648441000001  0.33513541030000005  0.3779537504  1.0000
  I   I3        1.0  0.3351354102999999  0.6648648441000001  0.6220449104  1.0000
  I   I4        1.0  0.8351341069000001  0.16486614750000003  0.8779551411  1.0000