data_image0
_chemical_formula_structural       NbSe2Nb
_chemical_formula_sum              "Nb2 Se2"
_cell_length_a       3.328672063616919
_cell_length_b       3.3287288412846308
_cell_length_c       20.98410326181106
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99943576515851

_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  0.33332320724070574  0.6666354851981102  0.5631688017617994  1.0000
  Se  Se1       1.0  0.6667761449531842  0.333495475543323  0.3573204542719578  1.0000
  Se  Se2       1.0  0.9999733429108576  3.531313365758774e-06  0.6426796714512578  1.0000
  Nb  Nb2       1.0  0.33340201285558585  0.6668149369692667  0.43683117956639683  1.0000