data_image0
_chemical_formula_structural       Nb6Se8
_chemical_formula_sum              "Nb6 Se8"
_cell_length_a       10.130403004897387
_cell_length_b       10.130304262059505
_cell_length_c       3.47607
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00388368392638

_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  0.48794193490000004  0.1082324064  0.25000071920000005  1.0000
  Nb  Nb2       1.0  0.8917603636  0.37969829920000003  0.25000071920000005  1.0000
  Nb  Nb3       1.0  0.6203057566  0.5120561861  0.25000071920000005  1.0000
  Nb  Nb4       1.0  0.3796943421  0.4879438139  0.7499992808000001  1.0000
  Nb  Nb5       1.0  0.10823973509999996  0.6203017007999999  0.7499992808000001  1.0000
  Nb  Nb6       1.0  0.5120581639  0.8917675936  0.7499992808000001  1.0000
  Se  Se1       1.0  0.7201291475  0.060661347000000004  0.25000071920000005  1.0000
  Se  Se2       1.0  0.3405283119  0.2798906938  0.25000071920000005  1.0000
  Se  Se3       1.0  0.9393579351  0.6594633479999998  0.25000071920000005  1.0000
  Se  Se4       1.0  0.33329573040000005  0.6666444378000002  0.25000071920000005  1.0000
  Se  Se5       1.0  0.6667043683  0.3333555622  0.7499992808000001  1.0000
  Se  Se6       1.0  0.06064216370000001  0.340536652  0.7499992808000001  1.0000
  Se  Se7       1.0  0.6594717868  0.7201093062  0.7499992808000001  1.0000
  Se  Se8       1.0  0.2798709513  0.939338653  0.7499992808000001  1.0000