# generated using pymatgen
data_TiNb6SiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71016035
_cell_length_b   7.71016122
_cell_length_c   13.84219186
_cell_angle_alpha   76.10254201
_cell_angle_beta   76.10254095
_cell_angle_gamma   26.05830511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb6SiP3
_chemical_formula_sum   'Ti2 Nb12 Si2 P6'
_cell_volume   350.31827290
_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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb2  1  0.43049926  0.43049926  0.17446577  1.0
  Nb  Nb3  1  0.56950074  0.56950074  0.82553423  1.0
  Nb  Nb4  1  0.19747426  0.19747426  0.68617978  1.0
  Nb  Nb5  1  0.80252574  0.80252574  0.31382022  1.0
  Nb  Nb6  1  0.20654958  0.20654958  0.20526516  1.0
  Nb  Nb7  1  0.79345042  0.79345042  0.79473484  1.0
  Nb  Nb8  1  0.33800618  0.33800618  0.96844772  1.0
  Nb  Nb9  1  0.66199382  0.66199382  0.03155228  1.0
  Nb  Nb10  1  0.00261230  0.00261230  0.33602130  1.0
  Nb  Nb11  1  0.99738770  0.99738770  0.66397870  1.0
  Nb  Nb12  1  0.17350473  0.17350473  0.45839768  1.0
  Nb  Nb13  1  0.82649527  0.82649527  0.54160232  1.0
  Si  Si14  1  0.17560216  0.17560216  0.88932643  1.0
  Si  Si15  1  0.82439784  0.82439784  0.11067357  1.0
  P  P16  1  0.37617402  0.37617402  0.39811220  1.0
  P  P17  1  0.62382598  0.62382598  0.60188780  1.0
  P  P18  1  0.37243292  0.37243292  0.66122455  1.0
  P  P19  1  0.62756708  0.62756708  0.33877545  1.0
  P  P20  1  0.06175339  0.06175339  0.15008294  1.0
  P  P21  1  0.93824661  0.93824661  0.84991706  1.0