# generated using pymatgen
data_Ti3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09920049
_cell_length_b   10.14032184
_cell_length_c   10.14032184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3As
_chemical_formula_sum   'Ti24 As8'
_cell_volume   524.33103733
_cell_formula_units_Z   8
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  0.28590810  0.83156758  0.14541706  1.0
  Ti  Ti1  1  0.28590810  0.66843242  0.35458294  1.0
  Ti  Ti2  1  0.78590810  0.64541706  0.16843242  1.0
  Ti  Ti3  1  0.78590810  0.85458294  0.33156758  1.0
  Ti  Ti4  1  0.71409190  0.16843242  0.85458294  1.0
  Ti  Ti5  1  0.71409190  0.33156758  0.64541706  1.0
  Ti  Ti6  1  0.21409190  0.35458294  0.83156758  1.0
  Ti  Ti7  1  0.21409190  0.14541706  0.66843242  1.0
  Ti  Ti8  1  0.96296858  0.27778540  0.10694462  1.0
  Ti  Ti9  1  0.96296858  0.22221460  0.39305538  1.0
  Ti  Ti10  1  0.46296858  0.60694462  0.72221460  1.0
  Ti  Ti11  1  0.46296858  0.89305538  0.77778540  1.0
  Ti  Ti12  1  0.03703142  0.72221460  0.89305538  1.0
  Ti  Ti13  1  0.03703142  0.77778540  0.60694462  1.0
  Ti  Ti14  1  0.53703142  0.39305538  0.27778540  1.0
  Ti  Ti15  1  0.53703142  0.10694462  0.22221460  1.0
  Ti  Ti16  1  0.24485373  0.43240189  0.53442491  1.0
  Ti  Ti17  1  0.24485373  0.06759811  0.96557509  1.0
  Ti  Ti18  1  0.74485373  0.03442491  0.56759811  1.0
  Ti  Ti19  1  0.74485373  0.46557509  0.93240189  1.0
  Ti  Ti20  1  0.75514627  0.56759811  0.46557509  1.0
  Ti  Ti21  1  0.75514627  0.93240189  0.03442491  1.0
  Ti  Ti22  1  0.25514627  0.96557509  0.43240189  1.0
  Ti  Ti23  1  0.25514627  0.53442491  0.06759811  1.0
  As  As24  1  0.46149811  0.29100357  0.04436448  1.0
  As  As25  1  0.46149811  0.20899643  0.45563552  1.0
  As  As26  1  0.96149811  0.54436448  0.70899643  1.0
  As  As27  1  0.96149811  0.95563552  0.79100357  1.0
  As  As28  1  0.53850189  0.70899643  0.95563552  1.0
  As  As29  1  0.53850189  0.79100357  0.54436448  1.0
  As  As30  1  0.03850189  0.45563552  0.29100357  1.0
  As  As31  1  0.03850189  0.04436448  0.20899643  1.0