# generated using pymatgen
data_TiNi5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50543246
_cell_length_b   8.50543246
_cell_length_c   8.50543235
_cell_angle_alpha   60.91068670
_cell_angle_beta   60.91068670
_cell_angle_gamma   60.91068578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi5(PO4)6
_chemical_formula_sum   'Ti1 Ni5 P6 O24'
_cell_volume   444.01540844
_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  0.85451300  0.85451300  0.85451300  1.0
  Ni  Ni1  1  0.00086900  0.00086900  0.00086900  1.0
  Ni  Ni2  1  0.35976500  0.35976500  0.35976500  1.0
  Ni  Ni3  1  0.50098800  0.50098800  0.50098800  1.0
  Ni  Ni4  1  0.14257900  0.14257900  0.14257900  1.0
  Ni  Ni5  1  0.64227200  0.64227200  0.64227200  1.0
  P  P6  1  0.74907200  0.04744000  0.45213600  1.0
  P  P7  1  0.04744000  0.45213600  0.74907200  1.0
  P  P8  1  0.45213600  0.74907200  0.04744000  1.0
  P  P9  1  0.54657600  0.25172600  0.95339900  1.0
  P  P10  1  0.95339900  0.54657600  0.25172600  1.0
  P  P11  1  0.25172600  0.95339900  0.54657600  1.0
  O  O12  1  0.89824600  0.49284100  0.67128200  1.0
  O  O13  1  0.49284100  0.67128200  0.89824600  1.0
  O  O14  1  0.67128200  0.89824600  0.49284100  1.0
  O  O15  1  0.91011700  0.05481500  0.25678600  1.0
  O  O16  1  0.82399700  0.98742600  0.61440300  1.0
  O  O17  1  0.59841500  0.24655500  0.44455100  1.0
  O  O18  1  0.05481500  0.25678600  0.91011700  1.0
  O  O19  1  0.24655500  0.44455100  0.59841500  1.0
  O  O20  1  0.39044200  0.18493300  0.99294700  1.0
  O  O21  1  0.44455100  0.59841500  0.24655500  1.0
  O  O22  1  0.74639800  0.08854900  0.93655700  1.0
  O  O23  1  0.99294700  0.39044200  0.18493300  1.0
  O  O24  1  0.98742600  0.61440300  0.82399700  1.0
  O  O25  1  0.25678600  0.91011700  0.05481500  1.0
  O  O26  1  0.56355700  0.40581800  0.75224400  1.0
  O  O27  1  0.61440300  0.82399700  0.98742600  1.0
  O  O28  1  0.75224400  0.56355700  0.40581800  1.0
  O  O29  1  0.93655700  0.74639800  0.08854900  1.0
  O  O30  1  0.40581800  0.75224400  0.56355700  1.0
  O  O31  1  0.18493300  0.99294700  0.39044200  1.0
  O  O32  1  0.08854900  0.93655700  0.74639800  1.0
  O  O33  1  0.32129900  0.10556200  0.51092400  1.0
  O  O34  1  0.51092400  0.32129900  0.10556200  1.0
  O  O35  1  0.10556200  0.51092400  0.32129900  1.0