data_image0
_chemical_formula_structural       Ti3
_chemical_formula_sum              "Ti3"
_cell_length_a       4.550057000175822
_cell_length_b       4.55005711340649
_cell_length_c       2.809682
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99899384152347

_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  0.0  1.0000
  Ti  Ti2       1.0  0.6667044299  0.3333912784  0.4999996440999999  1.0000
  Ti  Ti3       1.0  0.3333908436  0.6667038865  0.4999996440999999  1.0000