data_image0
_chemical_formula_structural       NbCl2
_chemical_formula_sum              "Nb1 Cl2"
_cell_length_a       3.1204865824958206
_cell_length_b       3.12048642710432
_cell_length_c       18.761808075912434
_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
  Nb  Nb1       1.0  0.0  0.0  0.4999999568160238  1.0000
  Cl  Cl1       1.0  0.9999999999999999  0.5  0.6009654562589136  1.0000
  Cl  Cl2       1.0  0.5000000000000001  3.7895697568738466e-18  0.39903446087090444  1.0000