data_image0
_chemical_formula_structural       Nb4Se8
_chemical_formula_sum              "Nb4 Se8"
_cell_length_a       3.470124
_cell_length_b       3.4701174716582726
_cell_length_c       25.878805
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.0000622330153

_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  0.0  0.0  1.0000
  Nb  Nb2       1.0  0.0  0.0  0.2503141084  1.0000
  Nb  Nb3       1.0  0.33332468169999996  0.6666493633999999  0.49999990340000006  1.0000
  Nb  Nb4       1.0  0.0  0.0  0.7496856984  1.0000
  Se  Se1       1.0  0.33331469899999994  0.6666293979999999  0.0650972871  1.0000
  Se  Se2       1.0  0.6666850574  0.3333712675  0.18540693820000004  1.0000
  Se  Se3       1.0  0.6666850574  0.3333712675  0.31549524790000005  1.0000
  Se  Se4       1.0  0.0  0.0  0.4349207778  1.0000
  Se  Se5       1.0  0.0  0.0  0.5650794154000001  1.0000
  Se  Se6       1.0  0.6666850574  0.3333712675  0.6845049453  1.0000
  Se  Se7       1.0  0.6666850574  0.3333712675  0.8145932550000001  1.0000
  Se  Se8       1.0  0.33331469899999994  0.6666293979999999  0.9349025196  1.0000