data_image0
_chemical_formula_structural       TiSe2
_chemical_formula_sum              "Ti1 Se2"
_cell_length_a       3.536203800119735
_cell_length_b       3.5362038001197345
_cell_length_c       18.105181009973542
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.0  0.0  0.49999999972456666  1.0000
  Se  Se1       1.0  0.6666666669837426  0.3333333340013449  0.5857539344212002  1.0000
  Se  Se2       1.0  0.3333333340013449  0.6666666680026898  0.4142460655802612  1.0000