# generated using pymatgen
data_Ti5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48971648
_cell_length_b   7.40298322
_cell_length_c   9.77984847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5P3
_chemical_formula_sum   'Ti20 P12'
_cell_volume   469.85582436
_cell_formula_units_Z   4
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  0.84407120  0.25000000  0.22340249  1.0
  Ti  Ti1  1  0.80543803  0.95493833  0.92707531  1.0
  Ti  Ti2  1  0.14464576  0.25000000  0.79239417  1.0
  Ti  Ti3  1  0.15592880  0.75000000  0.77659751  1.0
  Ti  Ti4  1  0.35535424  0.25000000  0.29239417  1.0
  Ti  Ti5  1  0.69456197  0.95493833  0.42707531  1.0
  Ti  Ti6  1  0.96976597  0.25000000  0.49991986  1.0
  Ti  Ti7  1  0.03023403  0.75000000  0.50008014  1.0
  Ti  Ti8  1  0.19456197  0.04506167  0.07292469  1.0
  Ti  Ti9  1  0.64464576  0.75000000  0.70760583  1.0
  Ti  Ti10  1  0.46976597  0.75000000  0.00008014  1.0
  Ti  Ti11  1  0.69456197  0.54506167  0.42707531  1.0
  Ti  Ti12  1  0.34407120  0.75000000  0.27659751  1.0
  Ti  Ti13  1  0.65592880  0.25000000  0.72340249  1.0
  Ti  Ti14  1  0.30543803  0.04506167  0.57292469  1.0
  Ti  Ti15  1  0.30543803  0.45493833  0.57292469  1.0
  Ti  Ti16  1  0.85535424  0.75000000  0.20760583  1.0
  Ti  Ti17  1  0.19456197  0.45493833  0.07292469  1.0
  Ti  Ti18  1  0.80543803  0.54506167  0.92707531  1.0
  Ti  Ti19  1  0.53023403  0.25000000  -0.00008014  1.0
  P  P20  1  0.42352479  0.75000000  0.51352504  1.0
  P  P21  1  0.92822698  0.99089631  0.67388122  1.0
  P  P22  1  0.92352479  0.25000000  0.98647496  1.0
  P  P23  1  0.42822698  0.49089631  0.82611878  1.0
  P  P24  1  0.07647521  0.75000000  0.01352504  1.0
  P  P25  1  0.07177302  0.49089631  0.32611878  1.0
  P  P26  1  0.57647521  0.25000000  0.48647496  1.0
  P  P27  1  0.57177302  0.50910369  0.17388122  1.0
  P  P28  1  0.57177302  0.99089631  0.17388122  1.0
  P  P29  1  0.92822698  0.50910369  0.67388122  1.0
  P  P30  1  0.07177302  0.00910469  0.32611878  1.0
  P  P31  1  0.42822698  0.00910469  0.82611878  1.0