# generated using pymatgen
data_Ti5NbSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76094219
_cell_length_b   6.77177608
_cell_length_c   3.33751087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.94708633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5NbSi2B
_chemical_formula_sum   'Ti5 Nb1 Si2 B1'
_cell_volume   132.40197052
_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  0.23801845  1.00000000  0.50000000  1.0
  Ti  Ti1  1  0.76121598  0.75904245  0.50000000  1.0
  Ti  Ti2  1  0.00217253  0.24095755  0.50000000  1.0
  Ti  Ti3  1  0.40151931  0.40161391  0.00000000  1.0
  Ti  Ti4  1  0.99990539  0.59838609  0.00000000  1.0
  Nb  Nb5  1  0.59937364  0.00000000  0.00000000  1.0
  Si  Si6  1  0.33231333  0.66506137  0.50000000  1.0
  Si  Si7  1  0.66725396  0.33493863  0.50000000  1.0
  B  B8  1  0.99822640  1.00000000  0.00000000  1.0