data_image0
_chemical_formula_structural       I3ZrVI3
_chemical_formula_sum              "I6 Zr1 V1"
_cell_length_a       20.663452835269613
_cell_length_b       20.448507093717357
_cell_length_c       6.7900380604128285
_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
  I   I1        1.0  0.3892496779022818  0.5198630678057009  0.007139161410312283  1.0000
  I   I2        1.0  0.5709495732636621  0.5828855310578274  0.007154027478638703  1.0000
  I   I3        1.0  0.6069661748038622  0.47682979295563566  0.5189002888589994  1.0000
  Zr  Zr1       1.0  0.49810068007480535  0.49836331937247474  0.26299742005773696  1.0000
  V   V1        1.0  0.4981041850484404  0.4983589927210811  0.7629101871638811  1.0000
  I   I4        1.0  0.46210185716246144  0.6043853669747595  0.5189036133562736  1.0000
  I   I5        1.0  0.5341173647385107  0.3923620040542252  0.007160389955684111  1.0000
  I   I6        1.0  0.42523417747538333  0.41383382576954736  0.5188951051235192  1.0000