data_image0
_chemical_formula_structural       Cl2Zr
_chemical_formula_sum              "Cl2 Zr1"
_cell_length_a       3.407003987186983
_cell_length_b       3.407004
_cell_length_c       6.817270960895496
_cell_angle_alpha    75.52956843571596
_cell_angle_beta     104.47042904008923
_cell_angle_gamma    120.00000012440583

_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
  Cl  Cl1       1.0  0.7543559171  0.24564166589999997  0.2630725853  1.0000
  Cl  Cl2       1.0  0.5787124029  0.4212882409999999  0.7361347467999999  1.0000
  Zr  Zr1       1.0  0.0  0.0  0.9997925642999999  1.0000