data_image0
_chemical_formula_structural       NbSeNb2SeNb
_chemical_formula_sum              "Nb4 Se2"
_cell_length_a       3.3958691645087296
_cell_length_b       3.3958691645087296
_cell_length_c       37.206856
_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  0.499999999336145  0.499999999336145  0.4352790472272099  1.0000
  Se  Se1       1.0  1.3336345424067255e-18  0.0  0.40312727175873175  1.0000
  Nb  Nb2       1.0  1.587099111826286e-18  0.0  0.4797438238264475  1.0000
  Nb  Nb3       1.0  1.8682223262964275e-18  0.0  0.56472095277279  1.0000
  Se  Se2       1.0  0.499999999336145  0.499999999336145  0.5968727282412682  1.0000
  Nb  Nb4       1.0  0.499999999336145  0.499999999336145  0.5202561761735525  1.0000