data_image0
_chemical_formula_structural       Nb4O12
_chemical_formula_sum              "Nb4 O12"
_cell_length_a       4.029394159144983
_cell_length_b       5.849435748832791
_cell_length_c       36.245036402360235
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.9975930389512

_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  0.998621933001707  0.003782907477930426  0.5310149825062253  1.0000
  Nb  Nb2       1.0  0.49867055259689025  0.29021903588442227  0.4689854628641715  1.0000
  Nb  Nb3       1.0  0.9986234742554363  0.5424867720661559  0.5327993286640015  1.0000
  Nb  Nb4       1.0  0.49866923153886117  0.751516237025191  0.46720011593642313  1.0000
  O   O1        1.0  0.998602621895205  0.7610531260545701  0.4860953732184812  1.0000
  O   O2        1.0  0.49869149224879933  0.5329526527654117  0.5139042974094021  1.0000
  O   O3        1.0  0.9986227546979907  0.2813022943675023  0.48956116889967227  1.0000
  O   O4        1.0  0.498671678578547  0.01269858754702849  0.5104390665982015  1.0000
  O   O5        1.0  0.1749967067461552  0.7773618833841138  0.5723461620546606  1.0000
  O   O6        1.0  0.3222903133416955  0.5166307905983788  0.42765424221208187  1.0000
  O   O7        1.0  0.1773512131202792  0.26954425276462274  0.5662601507601264  1.0000
  O   O8        1.0  0.31994294476419355  0.02446254581117639  0.4337395424380779  1.0000
  O   O9        1.0  0.8202830852056046  0.7773503164869906  0.572195864815682  1.0000
  O   O10       1.0  0.6770054568164237  0.5166422184309853  0.4278038389290922  1.0000
  O   O11       1.0  0.8206848455218487  0.26954717224263597  0.5663451242990516  1.0000
  O   O12       1.0  0.6766105274598759  0.024459667254547755  0.4336549340486566  1.0000