data_image0
_chemical_formula_structural       NbSe2
_chemical_formula_sum              "Nb1 Se2"
_cell_length_a       3.853604914988707
_cell_length_b       3.853604890745906
_cell_length_c       19.01636651713959
_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  1.4782119955951895e-18  1.3136112672103635e-37  0.5000000011269348  1.0000
  Se  Se1       1.0  7.733648443221585e-19  0.5000000012007061  0.581066200004126  1.0000
  Se  Se2       1.0  0.5000000006502084  4.443243840643072e-20  0.41893380277560627  1.0000