data_image0
_chemical_formula_structural       Ti4Se8
_chemical_formula_sum              "Ti4 Se8"
_cell_length_a       7.078395777992046
_cell_length_b       7.08141999355223
_cell_length_c       18.105181009973542
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.01099539665653

_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
  Ti  Ti1       1.0  0.9993550453615001  0.010594624510178464  0.4999806473717167  1.0000
  Ti  Ti2       1.0  0.48800465885500005  0.9894392550590047  0.5000237147542324  1.0000
  Ti  Ti3       1.0  0.0006894995706541174  0.4992483883013213  0.5000005751279063  1.0000
  Ti  Ti4       1.0  0.5120698100770616  0.5007968378583285  0.4999940747431342  1.0000
  Se  Se1       1.0  0.33336951319957603  0.1664834431395398  0.5855174744398728  1.0000
  Se  Se2       1.0  0.8372789402863531  0.1675833238909293  0.5860668040216612  1.0000
  Se  Se3       1.0  0.3327247246066558  0.6698361683006088  0.5860132430586431  1.0000
  Se  Se4       1.0  0.8301118378436559  0.6632837373115246  0.5860316181055417  1.0000
  Se  Se5       1.0  0.1626362671376099  0.3300876602212343  0.41395158834238444  1.0000
  Se  Se6       1.0  0.6671721333456642  0.33676150510825076  0.41400655684828935  1.0000
  Se  Se7       1.0  0.16986293359368185  0.8328712109251132  0.4139437599658471  1.0000
  Se  Se8       1.0  0.6667246792633055  0.8330141910249417  0.4144699229767165  1.0000