# generated using pymatgen
data_Ti7Nb3Sn6As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17348153
_cell_length_b   8.17348199
_cell_length_c   5.55092214
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Nb3Sn6As
_chemical_formula_sum   'Ti7 Nb3 Sn6 As1'
_cell_volume   321.15148617
_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  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti1  1  0.74136394  0.74388523  0.24080732  1.0
  Ti  Ti2  1  0.25611477  0.99747871  0.24080732  1.0
  Ti  Ti3  1  0.00252129  0.25863606  0.24080732  1.0
  Ti  Ti4  1  0.25611477  0.25863606  0.75919268  1.0
  Ti  Ti5  1  0.74136394  0.99747871  0.75919268  1.0
  Ti  Ti6  1  0.00252129  0.74388523  0.75919268  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb8  1  0.33333300  0.66666700  0.50000000  1.0
  Nb  Nb9  1  0.33333300  0.66666700  0.00000000  1.0
  Sn  Sn10  1  0.39076761  0.38765469  0.24735667  1.0
  Sn  Sn11  1  0.61234531  0.00311292  0.24735667  1.0
  Sn  Sn12  1  0.99688708  0.60923239  0.24735667  1.0
  Sn  Sn13  1  0.61234531  0.60923239  0.75264333  1.0
  Sn  Sn14  1  0.39076761  0.00311292  0.75264333  1.0
  Sn  Sn15  1  0.99688708  0.38765469  0.75264333  1.0
  As  As16  1  0.00000000  0.00000000  0.50000000  1.0