# generated using pymatgen
data_Ti6SiAsN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39967876
_cell_length_b   5.39967753
_cell_length_c   7.98187004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.53456980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiAsN2
_chemical_formula_sum   'Ti6 Si1 As1 N2'
_cell_volume   131.70034660
_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  0.62954225  0.37045775  0.55265176  1.0
  Ti  Ti1  1  0.37004664  0.62995336  0.04878628  1.0
  Ti  Ti2  1  0.37004664  0.62995336  0.45121372  1.0
  Ti  Ti3  1  0.62954225  0.37045775  0.94734824  1.0
  Ti  Ti4  1  0.94758986  0.05241014  0.75000000  1.0
  Ti  Ti5  1  0.05337822  0.94662178  0.25000000  1.0
  Si  Si6  1  0.25454894  0.74545106  0.75000000  1.0
  As  As7  1  0.74561215  0.25438785  0.25000000  1.0
  N  N8  1  0.99984653  0.00015347  0.49867874  1.0
  N  N9  1  0.99984653  0.00015347  0.00132126  1.0