# generated using pymatgen
data_Ti2Nb3Ga3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74588799
_cell_length_b   7.74588860
_cell_length_c   5.31060675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Nb3Ga3B
_chemical_formula_sum   'Ti4 Nb6 Ga6 B2'
_cell_volume   275.94165441
_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  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb4  1  0.75883793  0.75883793  0.25000000  1.0
  Nb  Nb5  1  0.24116207  1.00000000  0.25000000  1.0
  Nb  Nb6  1  1.00000000  0.24116207  0.25000000  1.0
  Nb  Nb7  1  0.24116207  0.24116207  0.75000000  1.0
  Nb  Nb8  1  0.75883793  0.00000000  0.75000000  1.0
  Nb  Nb9  1  0.00000000  0.75883793  0.75000000  1.0
  Ga  Ga10  1  0.40054263  0.40054263  0.25000000  1.0
  Ga  Ga11  1  0.59945737  1.00000000  0.25000000  1.0
  Ga  Ga12  1  1.00000000  0.59945737  0.25000000  1.0
  Ga  Ga13  1  0.59945737  0.59945737  0.75000000  1.0
  Ga  Ga14  1  0.40054263  0.00000000  0.75000000  1.0
  Ga  Ga15  1  0.00000000  0.40054263  0.75000000  1.0
  B  B16  1  0.00000000  0.00000000  0.50000000  1.0
  B  B17  1  0.00000000  0.00000000  0.00000000  1.0