# generated using pymatgen
data_Ti(NbSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99303707
_cell_length_b   6.99303620
_cell_length_c   12.87804206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbSe2)4
_chemical_formula_sum   'Ti2 Nb8 Se16'
_cell_volume   545.39616553
_cell_formula_units_Z   2
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  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.25000000  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.75000000  1.0
  Nb  Nb4  1  0.50676982  0.01353964  0.25000000  1.0
  Nb  Nb5  1  0.98646036  0.49323018  0.25000000  1.0
  Nb  Nb6  1  0.50676982  0.49323018  0.25000000  1.0
  Nb  Nb7  1  0.49323018  0.98646036  0.75000000  1.0
  Nb  Nb8  1  0.01353964  0.50676982  0.75000000  1.0
  Nb  Nb9  1  0.49323018  0.50676982  0.75000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.88241377  1.0
  Se  Se11  1  0.66666700  0.33333300  0.11758623  1.0
  Se  Se12  1  0.66666700  0.33333300  0.38241377  1.0
  Se  Se13  1  0.33333300  0.66666700  0.61758623  1.0
  Se  Se14  1  0.83215290  0.66430479  0.87946029  1.0
  Se  Se15  1  0.33569521  0.16784710  0.87946029  1.0
  Se  Se16  1  0.83215290  0.16784710  0.87946029  1.0
  Se  Se17  1  0.16784710  0.33569521  0.12053971  1.0
  Se  Se18  1  0.66430479  0.83215290  0.12053971  1.0
  Se  Se19  1  0.16784710  0.83215290  0.12053971  1.0
  Se  Se20  1  0.16784710  0.33569521  0.37946029  1.0
  Se  Se21  1  0.66430479  0.83215290  0.37946029  1.0
  Se  Se22  1  0.16784710  0.83215290  0.37946029  1.0
  Se  Se23  1  0.83215290  0.66430479  0.62053971  1.0
  Se  Se24  1  0.33569521  0.16784710  0.62053971  1.0
  Se  Se25  1  0.83215290  0.16784710  0.62053971  1.0