# generated using pymatgen
data_Ti3Cu2Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56691952
_cell_length_b   8.56691952
_cell_length_c   8.56691977
_cell_angle_alpha   60.42681117
_cell_angle_beta   60.42681117
_cell_angle_gamma   60.42681664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Cu2Ni(PO4)6
_chemical_formula_sum   'Ti3 Cu2 Ni1 P6 O24'
_cell_volume   448.87989295
_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  0.85704100  0.85704100  0.85704100  1.0
  Ti  Ti1  1  0.64393000  0.64393000  0.64393000  1.0
  Ti  Ti2  1  0.35563900  0.35563900  0.35563900  1.0
  Cu  Cu3  1  0.00304700  0.00304700  0.00304700  1.0
  Cu  Cu4  1  0.50089800  0.50089800  0.50089800  1.0
  Ni  Ni5  1  0.14258400  0.14258400  0.14258400  1.0
  P  P6  1  0.75109000  0.45511700  0.04345500  1.0
  P  P7  1  0.45511700  0.04345500  0.75109000  1.0
  P  P8  1  0.04345500  0.75109000  0.45511700  1.0
  P  P9  1  0.95731500  0.24802000  0.54109300  1.0
  P  P10  1  0.54109300  0.95731500  0.24802000  1.0
  P  P11  1  0.24802000  0.54109300  0.95731500  1.0
  O  O12  1  0.88106300  0.68487400  0.50553900  1.0
  O  O13  1  0.68487400  0.50553900  0.88106300  1.0
  O  O14  1  0.94416300  0.08500800  0.73876300  1.0
  O  O15  1  0.50553900  0.88106300  0.68487400  1.0
  O  O16  1  0.98739000  0.19192700  0.38605300  1.0
  O  O17  1  0.76290200  0.41416100  0.56574700  1.0
  O  O18  1  0.73876300  0.94416300  0.08500800  1.0
  O  O19  1  0.56574700  0.76290200  0.41416100  1.0
  O  O20  1  0.80925000  0.62155500  0.99923000  1.0
  O  O21  1  0.41416100  0.56574700  0.76290200  1.0
  O  O22  1  0.91107700  0.26343400  0.05321600  1.0
  O  O23  1  0.62155500  0.99923000  0.80925000  1.0
  O  O24  1  0.38605300  0.98739000  0.19192700  1.0
  O  O25  1  0.08500800  0.73876300  0.94416300  1.0
  O  O26  1  0.58382400  0.44548000  0.23609900  1.0
  O  O27  1  0.19192700  0.38605300  0.98739000  1.0
  O  O28  1  0.44548000  0.23609900  0.58382400  1.0
  O  O29  1  0.26343400  0.05321600  0.91107700  1.0
  O  O30  1  0.23609900  0.58382400  0.44548000  1.0
  O  O31  1  0.99923000  0.80925000  0.62155500  1.0
  O  O32  1  0.49958200  0.12206300  0.30837200  1.0
  O  O33  1  0.05321600  0.91107700  0.26343400  1.0
  O  O34  1  0.30837200  0.49958200  0.12206300  1.0
  O  O35  1  0.12206300  0.30837200  0.49958200  1.0