# generated using pymatgen
data_Ti12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73789724
_cell_length_b   9.73789737
_cell_length_c   3.41611610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12P7
_chemical_formula_sum   'Ti12 P7'
_cell_volume   280.53926218
_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  0.37590577  0.50733425  0.00000000  1.0
  Ti  Ti1  1  0.13142748  0.62409423  0.00000000  1.0
  Ti  Ti2  1  0.49266575  0.86857252  0.00000000  1.0
  Ti  Ti3  1  0.01215594  0.26415322  0.00000000  1.0
  Ti  Ti4  1  0.25199728  0.98784406  0.00000000  1.0
  Ti  Ti5  1  0.73584678  0.74800272  0.00000000  1.0
  Ti  Ti6  1  0.51745519  0.13234305  0.50000000  1.0
  Ti  Ti7  1  0.61488785  0.48254481  0.50000000  1.0
  Ti  Ti8  1  0.86765695  0.38511215  0.50000000  1.0
  Ti  Ti9  1  0.79838573  0.00899089  0.50000000  1.0
  Ti  Ti10  1  0.21060516  0.20161427  0.50000000  1.0
  Ti  Ti11  1  0.99100911  0.78939484  0.50000000  1.0
  P  P12  1  0.00000000  0.00000000  0.00000000  1.0
  P  P13  1  0.43761650  0.27958642  0.00000000  1.0
  P  P14  1  0.84197092  0.56238350  0.00000000  1.0
  P  P15  1  0.72041358  0.15802908  0.00000000  1.0
  P  P16  1  0.16812692  0.45401186  0.50000000  1.0
  P  P17  1  0.28588395  0.83187308  0.50000000  1.0
  P  P18  1  0.54598814  0.71411605  0.50000000  1.0