data_image0
_chemical_formula_structural       Se4Ti5
_chemical_formula_sum              "Se4 Ti5"
_cell_length_a       3.477072
_cell_length_b       7.079201102377584
_cell_length_c       7.079201102377584
_cell_angle_alpha    93.45768279414854
_cell_angle_beta     75.78367213956824
_cell_angle_gamma    104.21632786043176

_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  0.0571010285  0.3298868283  0.2156847713  1.0000
  Se  Se2       1.0  0.7272161749  0.7843158469000001  0.3298857979  1.0000
  Se  Se3       1.0  0.27278612590000006  0.21568374090000003  0.6701137899  1.0000
  Se  Se4       1.0  0.9428983963000002  0.6701137899000001  0.7843158468999999  1.0000
  Ti  Ti1       1.0  0.0  0.0  0.0  1.0000
  Ti  Ti2       1.0  0.3066460008  0.6783982613  0.06510625970000002  1.0000
  Ti  Ti3       1.0  0.37175258659999993  0.06510522930000003  0.3216023569  1.0000
  Ti  Ti4       1.0  0.6282497142  0.9348943585999999  0.6783972308999999  1.0000
  Ti  Ti5       1.0  0.6933534239999999  0.3216023569  0.9348943585999999  1.0000