data_image0
_chemical_formula_structural       Mo2NCl6MoCl5
_chemical_formula_sum              "Mo3 N1 Cl11"
_cell_length_a       23.284126503091265
_cell_length_b       21.34705613928962
_cell_length_c       6.473833305515407
_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
  Mo  Mo1       1.0  0.4491878120872698  0.49822246068906156  0.02501364379353932  1.0000
  Mo  Mo2       1.0  0.5860610648081328  0.49806718040387055  0.3714333347030306  1.0000
  N   N1        1.0  0.5189834926841523  0.49824378970299754  0.516527629955807  1.0000
  Cl  Cl1       1.0  0.6180838708832993  0.41074990974019904  0.5311574658478667  1.0000
  Cl  Cl2       1.0  0.6182227981452803  0.5855804935878972  0.5297906245792069  1.0000
  Cl  Cl3       1.0  0.5424938798480073  0.5651138952542197  0.09117959791845122  1.0000
  Cl  Cl4       1.0  0.44145688443782016  0.40707680199590845  0.8069782991989554  1.0000
  Cl  Cl5       1.0  0.5423603063997461  0.43097920841438453  0.09176358242768902  1.0000
  Cl  Cl6       1.0  0.4304355738806587  0.4197304325421925  0.31828150220270635  1.0000
  Mo  Mo3       1.0  0.4407826769205574  0.4982256750706611  0.5975121995987367  1.0000
  Cl  Cl7       1.0  0.4415957947141272  0.5894027428835817  0.8070986613205464  1.0000
  Cl  Cl8       1.0  0.35159886849057925  0.4983265147832614  0.04196641908599326  1.0000
  Cl  Cl9       1.0  0.6699172127450737  0.49782171669935393  0.15913811437224007  1.0000
  Cl  Cl10      1.0  0.3400672403301402  0.49841613178205263  0.5910671078628373  1.0000
  Cl  Cl11      1.0  0.43062545446480777  0.5767935566646196  0.3181208622622532  1.0000