# generated using pymatgen
data_ZrTiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67943000
_cell_length_b   6.39784600
_cell_length_c   6.66076576
_cell_angle_alpha   89.78762521
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiSe4
_chemical_formula_sum   'Zr1 Ti1 Se4'
_cell_volume   156.79618965
_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
  Zr  Zr0  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se2  1  0.00000000  0.32135800  0.76094800  1.0
  Se  Se3  1  0.50000000  0.15362500  0.23061000  1.0
  Se  Se4  1  0.50000000  0.84637500  0.76939000  1.0
  Se  Se5  1  0.00000000  0.67864200  0.23905200  1.0