# generated using pymatgen
data_Ti6GaBAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82322115
_cell_length_b   6.82322106
_cell_length_c   3.34967806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6GaBAs
_chemical_formula_sum   'Ti6 Ga1 B1 As1'
_cell_volume   135.05560374
_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  0.23533227  0.00091767  0.50000000  1.0
  Ti  Ti1  1  0.76558640  0.76466773  0.50000000  1.0
  Ti  Ti2  1  0.99908233  0.23441360  0.50000000  1.0
  Ti  Ti3  1  0.60276149  0.99204442  0.00000000  1.0
  Ti  Ti4  1  0.38928293  0.39723851  0.00000000  1.0
  Ti  Ti5  1  0.00795558  0.61071707  0.00000000  1.0
  Ga  Ga6  1  0.66666700  0.33333300  0.50000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  As  As8  1  0.33333300  0.66666700  0.50000000  1.0