data_image0
_chemical_formula_structural       I12Zr4
_chemical_formula_sum              "I12 Zr4"
_cell_length_a       13.418901
_cell_length_b       6.578041
_cell_length_c       7.75664
_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  0.2499996088  0.749999886  0.0655670497  1.0000
  I   I2        1.0  0.5942289909  0.749999886  0.09268317209999999  1.0000
  I   I3        1.0  0.9057716426  0.749999886  0.09268317209999999  1.0000
  I   I4        1.0  0.5933473986  0.24999996200000002  0.4049885002  1.0000
  I   I5        1.0  0.9066524896000001  0.24999996200000002  0.4049885002  1.0000
  I   I6        1.0  0.2499996088  0.24999996200000002  0.4405967017  1.0000
  I   I7        1.0  0.7499995715  0.749999886  0.5594032983  1.0000
  I   I8        1.0  0.09334743580000002  0.749999886  0.5950114998  1.0000
  I   I9        1.0  0.4066525269  0.749999886  0.5950114998  1.0000
  I   I10       1.0  0.09422902810000001  0.24999996200000002  0.9073168278999999  1.0000
  I   I11       1.0  0.4057709346  0.24999996200000002  0.9073168278999999  1.0000
  I   I12       1.0  0.7499995715  0.24999996200000002  0.9344329502999998  1.0000
  Zr  Zr1       1.0  0.7499995715  0.0037625184  0.2479888199  1.0000
  Zr  Zr2       1.0  0.7499995715  0.49623740560000007  0.2479888199  1.0000
  Zr  Zr3       1.0  0.2499996088  0.5037624423  0.7520111801  1.0000
  Zr  Zr4       1.0  0.2499996088  0.9962373296  0.7520111801  1.0000