# generated using pymatgen
data_Ti6AsC2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45756552
_cell_length_b   5.45756572
_cell_length_c   8.08582114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.17443215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6AsC2Se
_chemical_formula_sum   'Ti6 As1 C2 Se1'
_cell_volume   137.53681733
_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  0.12802581  0.87197419  0.05305966  1.0
  Ti  Ti1  1  0.44449831  0.55550169  0.25000000  1.0
  Ti  Ti2  1  0.12802581  0.87197419  0.44694034  1.0
  Ti  Ti3  1  0.87138498  0.12861502  0.55466263  1.0
  Ti  Ti4  1  0.55488457  0.44511543  0.75000000  1.0
  Ti  Ti5  1  0.87138498  0.12861502  0.94533737  1.0
  As  As6  1  0.24530942  0.75469058  0.75000000  1.0
  C  C7  1  0.50046493  0.49953507  0.00107144  1.0
  C  C8  1  0.50046493  0.49953507  0.49892856  1.0
  Se  Se9  1  0.75555626  0.24444374  0.25000000  1.0