[CIF]
data_Ti2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13870138
_cell_length_b   3.64056843
_cell_length_c   5.99943400
_cell_angle_alpha   90.00000000
_cell_angle_beta   103.84341669
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaSe
_chemical_formula_sum   'Ti2 Ga1 Se1'
_cell_volume   66.56221974
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  Ga  Ga0  1  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  -0.71774013  0.00000000  2.91258497  1
  Ti  Ti2  1  0.37810032  1.82028422  4.36479488  1
  Ti  Ti3  1  1.32512081  1.82028422  1.46037505  1
[/CIF]
