# generated using pymatgen
data_Ti2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59224000
_cell_length_b   6.17075085
_cell_length_c   6.91517709
_cell_angle_alpha   116.25667689
_cell_angle_beta   105.05439414
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NiSe4
_chemical_formula_sum   'Ti2 Ni1 Se4'
_cell_volume   131.57972840
_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  0.74772400  0.73943000  0.49544800  1.0
  Ti  Ti1  1  0.25227600  0.26057000  0.50455200  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.62034700  0.95400800  0.24069400  1.0
  Se  Se4  1  0.37965300  0.04599200  0.75930600  1.0
  Se  Se5  1  0.88252100  0.54782300  0.76504200  1.0
  Se  Se6  1  0.11747900  0.45217700  0.23495800  1.0