data_image0
_chemical_formula_structural       I2Zr2
_chemical_formula_sum              "I2 Zr2"
_cell_length_a       3.6367709679616573
_cell_length_b       3.636485619991051
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00428055997399

_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  0.9998795191407925  0.9999543225707233  0.3248378253915122  1.0000
  I   I2        1.0  0.33345380631301746  0.6667123548996199  0.6752310059048676  1.0000
  Zr  Zr1       1.0  3.856084232881519e-05  0.9998873078188967  0.5639770191233673  1.0000
  Zr  Zr2       1.0  0.3332947953996935  0.6667793982308388  0.4360904613952126  1.0000