# generated using pymatgen
data_Ti6SiBAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74496961
_cell_length_b   6.74496992
_cell_length_c   3.35233124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiBAs
_chemical_formula_sum   'Ti6 Si1 B1 As1'
_cell_volume   132.08015723
_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  0.23840892  0.00130759  0.50000000  1.0
  Ti  Ti1  1  0.76289967  0.76159108  0.50000000  1.0
  Ti  Ti2  1  0.99869241  0.23710033  0.50000000  1.0
  Ti  Ti3  1  0.60246449  0.00171786  0.00000000  1.0
  Ti  Ti4  1  0.39925337  0.39753551  0.00000000  1.0
  Ti  Ti5  1  0.99828214  0.60074663  0.00000000  1.0
  Si  Si6  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