data_image0
_chemical_formula_structural       ZrCl2
_chemical_formula_sum              "Zr1 Cl2"
_cell_length_a       3.2823740502748326
_cell_length_b       3.28237433410469
_cell_length_c       18.917371567773472
_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
  Zr  Zr1       1.0  2.610819882015694e-18  0.0  0.5000001139753087  1.0000
  Cl  Cl1       1.0  3.235762147857937e-18  0.5000000008980252  0.6028867979433754  1.0000
  Cl  Cl2       1.0  0.5000000014814228  0.0  0.39711342524971  1.0000