data_image0
_chemical_formula_structural I2Zr2
_chemical_formula_sum "I2 Zr2"
_cell_length_a 4.465743622667208
_cell_length_b 4.467204955632132
_cell_length_c 18.85580293064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98917935496479
_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 2.617137923867689e-06 7.815202732989682e-05 0.3835742324135725 1.0000
I I2 1.0 0.3333307043664911 0.6665885392668905 0.6164909995129373 1.0000
Zr Zr1 1.0 1.0190246769816675e-05 6.614918193977474e-05 0.5429408415464606 1.0000
Zr Zr2 1.0 0.3333231057868526 0.6666005391607466 0.45713523099894804 1.0000