# generated using pymatgen
data_Ti6GaBSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79609203
_cell_length_b   6.79609189
_cell_length_c   3.36742719
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6GaBSe
_chemical_formula_sum   'Ti6 Ga1 B1 Se1'
_cell_volume   134.69372321
_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  0.23578173  0.00288037  0.50000000  1.0
  Ti  Ti1  1  0.76709864  0.76421827  0.50000000  1.0
  Ti  Ti2  1  0.99711963  0.23290136  0.50000000  1.0
  Ti  Ti3  1  0.60620495  0.99465465  0.00000000  1.0
  Ti  Ti4  1  0.38844870  0.39379505  0.00000000  1.0
  Ti  Ti5  1  0.00534535  0.61155130  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
  Se  Se8  1  0.33333300  0.66666700  0.50000000  1.0