data_image0
_chemical_formula_structural       Zr2Cl2
_chemical_formula_sum              "Zr2 Cl2"
_cell_length_a       3.4415762172794193
_cell_length_b       3.444237709665533
_cell_length_c       35.83751399538783
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.97444133248696

_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
  Zr  Zr1       1.0  0.6672910534806542  0.3345821061708043  0.46682678218564727  1.0000
  Zr  Zr2       1.0  0.9998165634227735  0.999633126845547  0.5331732182220866  1.0000
  Cl  Cl1       1.0  0.3340466947222403  0.6680933894444806  0.41838179796538477  1.0000
  Cl  Cl2       1.0  0.3330609194032709  0.666121838806542  0.5816182027213864  1.0000