# generated using pymatgen
data_Ti3Te3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46870340
_cell_length_b   10.46870331
_cell_length_c   3.72468406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te3As
_chemical_formula_sum   'Ti6 Te6 As2'
_cell_volume   353.51337113
_cell_formula_units_Z   2
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  0.64331745  0.14631075  0.75000000  1.0
  Ti  Ti1  1  0.50299230  0.35668255  0.75000000  1.0
  Ti  Ti2  1  0.35668255  0.85368925  0.25000000  1.0
  Ti  Ti3  1  0.85368925  0.49700770  0.75000000  1.0
  Ti  Ti4  1  0.49700770  0.64331745  0.25000000  1.0
  Ti  Ti5  1  0.14631075  0.50299230  0.25000000  1.0
  Te  Te6  1  0.69815507  0.65486990  0.75000000  1.0
  Te  Te7  1  0.30184493  0.34513010  0.25000000  1.0
  Te  Te8  1  0.65486990  0.95671583  0.25000000  1.0
  Te  Te9  1  0.95671583  0.30184493  0.75000000  1.0
  Te  Te10  1  0.04328417  0.69815507  0.25000000  1.0
  Te  Te11  1  0.34513010  0.04328417  0.75000000  1.0
  As  As12  1  0.33333300  0.66666700  0.75000000  1.0
  As  As13  1  0.66666700  0.33333300  0.25000000  1.0