# generated using pymatgen
data_Ti3CoNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49876602
_cell_length_b   8.49876602
_cell_length_c   8.49876611
_cell_angle_alpha   61.04975631
_cell_angle_beta   61.04975631
_cell_angle_gamma   61.04975664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CoNi2(PO4)6
_chemical_formula_sum   'Ti3 Co1 Ni2 P6 O24'
_cell_volume   444.32308581
_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  0.85693300  0.85693300  0.85693300  1.0
  Ti  Ti1  1  0.64509500  0.64509500  0.64509500  1.0
  Ti  Ti2  1  0.35432800  0.35432800  0.35432800  1.0
  Co  Co3  1  0.14410500  0.14410500  0.14410500  1.0
  Ni  Ni4  1  0.00259300  0.00259300  0.00259300  1.0
  Ni  Ni5  1  0.50096800  0.50096800  0.50096800  1.0
  P  P6  1  0.74987300  0.45383100  0.04641000  1.0
  P  P7  1  0.45383100  0.04641000  0.74987300  1.0
  P  P8  1  0.04641000  0.74987300  0.45383100  1.0
  P  P9  1  0.95245900  0.24775400  0.54536600  1.0
  P  P10  1  0.54536600  0.95245900  0.24775400  1.0
  P  P11  1  0.24775400  0.54536600  0.95245900  1.0
  O  O12  1  0.88621000  0.67405200  0.51172400  1.0
  O  O13  1  0.67405200  0.51172400  0.88621000  1.0
  O  O14  1  0.94180900  0.09051600  0.74528500  1.0
  O  O15  1  0.51172400  0.88621000  0.67405200  1.0
  O  O16  1  0.98492100  0.18301700  0.39449900  1.0
  O  O17  1  0.75635300  0.41203000  0.56666400  1.0
  O  O18  1  0.74528500  0.94180900  0.09051600  1.0
  O  O19  1  0.56666400  0.75635300  0.41203000  1.0
  O  O20  1  0.81478300  0.61914500  0.99803500  1.0
  O  O21  1  0.41203000  0.56666400  0.75635300  1.0
  O  O22  1  0.90239100  0.26079200  0.05267500  1.0
  O  O23  1  0.61914500  0.99803500  0.81478300  1.0
  O  O24  1  0.39449900  0.98492100  0.18301700  1.0
  O  O25  1  0.09051600  0.74528500  0.94180900  1.0
  O  O26  1  0.58674400  0.44708200  0.24184400  1.0
  O  O27  1  0.18301700  0.39449900  0.98492100  1.0
  O  O28  1  0.44708200  0.24184400  0.58674400  1.0
  O  O29  1  0.26079200  0.05267500  0.90239100  1.0
  O  O30  1  0.24184400  0.58674400  0.44708200  1.0
  O  O31  1  0.99803500  0.81478300  0.61914500  1.0
  O  O32  1  0.49694300  0.11803600  0.31473500  1.0
  O  O33  1  0.05267500  0.90239100  0.26079200  1.0
  O  O34  1  0.31473500  0.49694300  0.11803600  1.0
  O  O35  1  0.11803600  0.31473500  0.49694300  1.0