# generated using pymatgen
data_Ti5Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50120883
_cell_length_b   7.07196758
_cell_length_c   7.07196894
_cell_angle_alpha   86.48689877
_cell_angle_beta   75.66790373
_cell_angle_gamma   75.66793106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Se4
_chemical_formula_sum   'Ti5 Se4'
_cell_volume   164.37514856
_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
  Ti  Ti0  1  -0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.30638103  0.06577032  0.32146761  1.0
  Ti  Ti2  1  0.62784765  0.67853239  0.06577032  1.0
  Ti  Ti3  1  0.37215235  0.32146761  0.93422968  1.0
  Ti  Ti4  1  0.69361897  0.93422968  0.67853239  1.0
  Se  Se5  1  0.05821132  0.21327398  0.67030238  1.0
  Se  Se6  1  0.72851370  0.32969762  0.21327398  1.0
  Se  Se7  1  0.27148630  0.67030238  0.78672602  1.0
  Se  Se8  1  0.94178868  0.78672602  0.32969762  1.0