# generated using pymatgen
data_Ti6BeSN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39362749
_cell_length_b   5.39362732
_cell_length_c   7.81560788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.57804177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6BeSN2
_chemical_formula_sum   'Ti6 Be1 S1 N2'
_cell_volume   125.23308795
_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  0.63232869  0.36767131  0.55850375  1.0
  Ti  Ti1  1  0.37102357  0.62897643  0.05631302  1.0
  Ti  Ti2  1  0.37102357  0.62897643  0.44368698  1.0
  Ti  Ti3  1  0.63232869  0.36767131  0.94149625  1.0
  Ti  Ti4  1  0.93539454  0.06460546  0.75000000  1.0
  Ti  Ti5  1  0.05835347  0.94164653  0.25000000  1.0
  Be  Be6  1  0.74286045  0.25713955  0.25000000  1.0
  S  S7  1  0.25635421  0.74364579  0.75000000  1.0
  N  N8  1  0.00016641  0.99983359  0.50241301  1.0
  N  N9  1  0.00016641  0.99983359  0.99758699  1.0