# generated using pymatgen
data_TiNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40297800
_cell_length_b   7.91704700
_cell_length_c   14.02713800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiP2O9
_chemical_formula_sum   'Ti4 Ni4 P8 O36'
_cell_volume   711.07318661
_cell_formula_units_Z   4
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  0.25000000  0.33808000  0.88401200  1.0
  Ti  Ti1  1  0.75000000  0.66192000  0.11598800  1.0
  Ti  Ti2  1  0.75000000  0.83808000  0.61598800  1.0
  Ti  Ti3  1  0.25000000  0.16192000  0.38401200  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1.0
  P  P8  1  0.75000000  0.34604100  0.94077200  1.0
  P  P9  1  0.25000000  0.65395900  0.05922800  1.0
  P  P10  1  0.25000000  0.84604100  0.55922800  1.0
  P  P11  1  0.75000000  0.15395900  0.44077200  1.0
  P  P12  1  0.25000000  0.39350700  0.68615900  1.0
  P  P13  1  0.75000000  0.60649300  0.31384100  1.0
  P  P14  1  0.75000000  0.89350700  0.81384100  1.0
  P  P15  1  0.25000000  0.10649300  0.18615900  1.0
  O  O16  1  0.54923000  0.60135300  0.37358500  1.0
  O  O17  1  0.04923000  0.39864700  0.62641500  1.0
  O  O18  1  0.45077000  0.10135300  0.12641500  1.0
  O  O19  1  0.95077000  0.89864700  0.87358500  1.0
  O  O20  1  0.45077000  0.39864700  0.62641500  1.0
  O  O21  1  0.95077000  0.60135300  0.37358500  1.0
  O  O22  1  0.54923000  0.89864700  0.87358500  1.0
  O  O23  1  0.04923000  0.10135300  0.12641500  1.0
  O  O24  1  0.75000000  0.33544400  0.48163500  1.0
  O  O25  1  0.25000000  0.66455600  0.51836500  1.0
  O  O26  1  0.25000000  0.83544400  0.01836500  1.0
  O  O27  1  0.75000000  0.16455600  0.98163500  1.0
  O  O28  1  0.25000000  0.14953300  0.94945800  1.0
  O  O29  1  0.75000000  0.85046700  0.05054200  1.0
  O  O30  1  0.75000000  0.64953300  0.55054200  1.0
  O  O31  1  0.25000000  0.35046700  0.44945800  1.0
  O  O32  1  0.25000000  0.23436000  0.75120900  1.0
  O  O33  1  0.75000000  0.76564000  0.24879100  1.0
  O  O34  1  0.75000000  0.73436000  0.74879100  1.0
  O  O35  1  0.25000000  0.26564000  0.25120900  1.0
  O  O36  1  0.94644600  0.13113000  0.37909400  1.0
  O  O37  1  0.44644600  0.86887000  0.62090600  1.0
  O  O38  1  0.05355400  0.63113000  0.12090600  1.0
  O  O39  1  0.55355400  0.36887000  0.87909400  1.0
  O  O40  1  0.05355400  0.86887000  0.62090600  1.0
  O  O41  1  0.55355400  0.13113000  0.37909400  1.0
  O  O42  1  0.94644600  0.36887000  0.87909400  1.0
  O  O43  1  0.44644600  0.63113000  0.12090600  1.0
  O  O44  1  0.25000000  0.95744500  0.25914500  1.0
  O  O45  1  0.75000000  0.04255500  0.74085500  1.0
  O  O46  1  0.75000000  0.45744500  0.24085500  1.0
  O  O47  1  0.25000000  0.54255500  0.75914500  1.0
  O  O48  1  0.25000000  0.97834700  0.47917300  1.0
  O  O49  1  0.75000000  0.02165300  0.52082700  1.0
  O  O50  1  0.75000000  0.47834700  0.02082700  1.0
  O  O51  1  0.25000000  0.52165300  0.97917300  1.0