data_image0
_chemical_formula_structural       Zr2Cl2
_chemical_formula_sum              "Zr2 Cl2"
_cell_length_a       3.348137516647389
_cell_length_b       3.3482472834514208
_cell_length_c       36.045344
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99891554102722

_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  4.1142202845360395e-05  8.228440569071309e-05  0.5348559880577086  1.0000
  Zr  Zr2       1.0  0.3333588576070281  0.6667177152140542  0.4651440147165748  1.0000
  Cl  Cl1       1.0  3.815223722365594e-05  7.630447444730586e-05  0.41532710826674313  1.0000
  Cl  Cl2       1.0  0.33336184584833284  0.6667236916966637  0.5846728911784002  1.0000