# generated using pymatgen
data_Ti6BAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68082273
_cell_length_b   6.68082202
_cell_length_c   3.44701936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6BAsSe
_chemical_formula_sum   'Ti6 B1 As1 Se1'
_cell_volume   133.23987324
_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  0.23492881  0.00120440  0.50000000  1.0
  Ti  Ti1  1  0.76627459  0.76507119  0.50000000  1.0
  Ti  Ti2  1  0.99879560  0.23372541  0.50000000  1.0
  Ti  Ti3  1  0.60521744  0.00282843  0.00000000  1.0
  Ti  Ti4  1  0.39761099  0.39478256  0.00000000  1.0
  Ti  Ti5  1  0.99717157  0.60238901  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  As  As7  1  0.66666700  0.33333300  0.50000000  1.0
  Se  Se8  1  0.33333300  0.66666700  0.50000000  1.0