data_image0
_chemical_formula_structural       Se4Ti2
_chemical_formula_sum              "Se4 Ti2"
_cell_length_a       3.518298990914359
_cell_length_b       3.5188088585379282
_cell_length_c       18.2621212207944
_cell_angle_alpha    94.10714641772314
_cell_angle_beta     91.2701175465737
_cell_angle_gamma    60.035204835317245

_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
  Se  Se1       1.0  0.8250288992999999  0.3687198679  0.0841585757  1.0000
  Se  Se2       1.0  0.1413793954999999  0.7731846519000002  0.2546435662  1.0000
  Se  Se3       1.0  0.8586204520999998  0.22681278400000007  0.7453561597  1.0000
  Se  Se4       1.0  0.17497254  0.6312794397  0.9158416986999999  1.0000
  Ti  Ti1       1.0  0.4842698195  0.07027898130000003  0.1693264926  1.0000
  Ti  Ti2       1.0  0.5157316702999998  0.9297200945000001  0.8306732327999999  1.0000