data_image0
_chemical_formula_structural       PtI2
_chemical_formula_sum              "Pt1 I2"
_cell_length_a       4.0861693425397245
_cell_length_b       4.086169276783486
_cell_length_c       18.88908729652601
_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
  Pt  Pt1       1.0  0.0  0.0  0.500000003797801  1.0000
  I   I1        1.0  1.2749538348665589e-18  0.5000000003935856  0.5887001068625024  1.0000
  I   I2        1.0  0.49999999968922915  2.50749434047208e-19  0.4112998954390375  1.0000