data_image0
_chemical_formula_structural       NbSeNbSe
_chemical_formula_sum              "Nb2 Se2"
_cell_length_a       3.8951314093202756
_cell_length_b       3.8974623778984787
_cell_length_c       17.827337479999997
_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  3.530502328394361e-05  0.4999970932283042  1.0000
  Se  Se1       1.0  0.0  0.5005893606731874  0.6040242067600103  1.0000
  Nb  Nb2       1.0  0.5000000013709067  0.4998563247326223  0.5000058000809217  1.0000
  Se  Se2       1.0  0.0  0.4993044143377463  0.39597556213425095  1.0000