# generated using pymatgen
data_TiNb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98233768
_cell_length_b   8.98233768
_cell_length_c   8.98233718
_cell_angle_alpha   58.63905627
_cell_angle_beta   58.63905627
_cell_angle_gamma   58.63905656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3(PO4)6
_chemical_formula_sum   'Ti1 Nb3 P6 O24'
_cell_volume   496.51038086
_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  0.14154500  0.14154500  0.14154500  1.0
  Nb  Nb1  1  0.85893100  0.85893100  0.85893100  1.0
  Nb  Nb2  1  0.64149200  0.64149200  0.64149200  1.0
  Nb  Nb3  1  0.35933500  0.35933500  0.35933500  1.0
  P  P4  1  0.53002200  0.96673700  0.24937400  1.0
  P  P5  1  0.24937400  0.53002200  0.96673700  1.0
  P  P6  1  0.96673700  0.24937400  0.53002200  1.0
  P  P7  1  0.03558100  0.75561400  0.46051000  1.0
  P  P8  1  0.75561400  0.46051000  0.03558100  1.0
  P  P9  1  0.46051000  0.03558100  0.75561400  1.0
  O  O10  1  0.49536400  0.86775200  0.71936700  1.0
  O  O11  1  0.86775200  0.71936700  0.49536400  1.0
  O  O12  1  0.71019900  0.93781000  0.08069200  1.0
  O  O13  1  0.71936700  0.49536400  0.86775200  1.0
  O  O14  1  0.56232500  0.78956600  0.41933800  1.0
  O  O15  1  0.36364800  0.99720700  0.21864300  1.0
  O  O16  1  0.08069200  0.71019900  0.93781000  1.0
  O  O17  1  0.41933800  0.56232500  0.78956600  1.0
  O  O18  1  0.78956600  0.41933800  0.56232500  1.0
  O  O19  1  0.00434700  0.78085600  0.63332900  1.0
  O  O20  1  0.06377200  0.92348100  0.28617200  1.0
  O  O21  1  0.78085600  0.63332900  0.00434700  1.0
  O  O22  1  0.21864300  0.36364800  0.99720700  1.0
  O  O23  1  0.93781000  0.08069200  0.71019900  1.0
  O  O24  1  0.99720700  0.21864300  0.36364800  1.0
  O  O25  1  0.21095700  0.58114700  0.43666600  1.0
  O  O26  1  0.58114700  0.43666600  0.21095700  1.0
  O  O27  1  0.92348100  0.28617200  0.06377200  1.0
  O  O28  1  0.63332900  0.00434700  0.78085600  1.0
  O  O29  1  0.43666600  0.21095700  0.58114700  1.0
  O  O30  1  0.28121700  0.50313200  0.13387000  1.0
  O  O31  1  0.28617200  0.06377200  0.92348100  1.0
  O  O32  1  0.13387000  0.28121700  0.50313200  1.0
  O  O33  1  0.50313200  0.13387000  0.28121700  1.0