data_image0
_chemical_formula_structural       Nb2Se2
_chemical_formula_sum              "Nb2 Se2"
_cell_length_a       3.8600711409654056
_cell_length_b       3.8600711534705683
_cell_length_c       18.2795238
_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  2.0566198558532435e-37  0.4999999989058796  1.0000
  Nb  Nb2       1.0  0.49999999987494975  0.49999999825513997  0.5  1.0000
  Se  Se1       1.0  0.0  0.49999999825513997  0.3985363967741873  1.0000
  Se  Se2       1.0  0.49999999987494975  0.0  0.6014636021316924  1.0000