# generated using pymatgen
data_TiMn2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55608297
_cell_length_b   8.55608297
_cell_length_c   8.55608298
_cell_angle_alpha   60.85326777
_cell_angle_beta   60.85326777
_cell_angle_gamma   60.85326983
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Ni3(PO4)6
_chemical_formula_sum   'Ti1 Mn2 Ni3 P6 O24'
_cell_volume   451.42530151
_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  0.85441400  0.85441400  0.85441400  1.0
  Mn  Mn1  1  0.00038500  0.00038500  0.00038500  1.0
  Mn  Mn2  1  0.50109300  0.50109300  0.50109300  1.0
  Ni  Ni3  1  0.14335900  0.14335900  0.14335900  1.0
  Ni  Ni4  1  0.35869200  0.35869200  0.35869200  1.0
  Ni  Ni5  1  0.64348400  0.64348400  0.64348400  1.0
  P  P6  1  0.54339300  0.25095400  0.95498000  1.0
  P  P7  1  0.95498000  0.54339300  0.25095400  1.0
  P  P8  1  0.25095400  0.95498000  0.54339300  1.0
  P  P9  1  0.74955600  0.04636800  0.45417800  1.0
  P  P10  1  0.04636800  0.45417800  0.74955600  1.0
  P  P11  1  0.45417800  0.74955600  0.04636800  1.0
  O  O12  1  0.31368300  0.10837100  0.51212700  1.0
  O  O13  1  0.51212700  0.31368300  0.10837100  1.0
  O  O14  1  0.91030600  0.05817900  0.25909600  1.0
  O  O15  1  0.10837100  0.51212700  0.31368300  1.0
  O  O16  1  0.82140900  0.99004300  0.61627700  1.0
  O  O17  1  0.59687600  0.24405000  0.44684700  1.0
  O  O18  1  0.05817900  0.25909600  0.91030600  1.0
  O  O19  1  0.24405000  0.44684700  0.59687600  1.0
  O  O20  1  0.39156400  0.18252600  0.99150200  1.0
  O  O21  1  0.44684700  0.59687600  0.24405000  1.0
  O  O22  1  0.74416400  0.08983000  0.93262300  1.0
  O  O23  1  0.99150200  0.39156400  0.18252600  1.0
  O  O24  1  0.99004300  0.61627700  0.82140900  1.0
  O  O25  1  0.25909600  0.91030600  0.05817900  1.0
  O  O26  1  0.55757600  0.41075500  0.75660300  1.0
  O  O27  1  0.61627700  0.82140900  0.99004300  1.0
  O  O28  1  0.75660300  0.55757600  0.41075500  1.0
  O  O29  1  0.93262300  0.74416400  0.08983000  1.0
  O  O30  1  0.41075500  0.75660300  0.55757600  1.0
  O  O31  1  0.18252600  0.99150200  0.39156400  1.0
  O  O32  1  0.89678000  0.48949400  0.67846400  1.0
  O  O33  1  0.08983000  0.93262300  0.74416400  1.0
  O  O34  1  0.48949400  0.67846400  0.89678000  1.0
  O  O35  1  0.67846400  0.89678000  0.48949400  1.0