# generated using pymatgen
data_Ti12SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07385313
_cell_length_b   7.60770768
_cell_length_c   7.61663805
_cell_angle_alpha   83.47128516
_cell_angle_beta   70.60947807
_cell_angle_gamma   70.53317392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12SiAs3
_chemical_formula_sum   'Ti12 Si1 As3'
_cell_volume   261.47338759
_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  0.62175243  0.38600609  0.32857944  1.0
  Ti  Ti1  1  0.33528680  0.61376266  0.66934229  1.0
  Ti  Ti2  1  0.05073577  0.33026537  0.61015108  1.0
  Ti  Ti3  1  0.99621730  0.66743326  0.38642157  1.0
  Ti  Ti4  1  0.57258424  0.39562618  0.96729890  1.0
  Ti  Ti5  1  0.94114979  0.60118851  0.03535093  1.0
  Ti  Ti6  1  0.45730737  0.96664476  0.60128338  1.0
  Ti  Ti7  1  0.02758024  0.03491580  0.39726704  1.0
  Ti  Ti8  1  0.13751365  0.18950492  0.97563419  1.0
  Ti  Ti9  1  0.29811935  0.81059056  0.02744016  1.0
  Ti  Ti10  1  0.89059078  0.97333758  0.81223401  1.0
  Ti  Ti11  1  0.67164201  0.03011749  0.18821249  1.0
  Si  Si12  1  0.18155565  0.33037376  0.25320651  1.0
  As  As13  1  0.76364391  0.67018171  0.74834310  1.0
  As  As14  1  0.56514759  0.25209670  0.66997502  1.0
  As  As15  1  0.48917412  0.74795265  0.32926090  1.0