# generated using pymatgen
data_LiTi2Ni(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42063300
_cell_length_b   6.51576800
_cell_length_c   7.40528938
_cell_angle_alpha   89.98172487
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Ni(PO5)2
_chemical_formula_sum   'Li2 Ti4 Ni2 P4 O20'
_cell_volume   358.05403959
_cell_formula_units_Z   2
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
  Li  Li0  1  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti2  1  0.78221000  0.24581400  0.66109500  1
  Ti  Ti3  1  0.71779000  0.24581400  0.16109500  1
  Ti  Ti4  1  0.28221000  0.75418600  0.83890500  1
  Ti  Ti5  1  0.21779000  0.75418600  0.33890500  1
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.00000000  1
  P  P8  1  0.36879000  0.25051300  0.87441800  1
  P  P9  1  0.13121000  0.25051300  0.37441800  1
  P  P10  1  0.86879000  0.74948700  0.62558200  1
  P  P11  1  0.63121000  0.74948700  0.12558200  1
  O  O12  1  0.24817100  0.05694600  0.86935000  1
  O  O13  1  0.25182900  0.05694600  0.36935000  1
  O  O14  1  0.84755900  0.25990300  0.89660800  1
  O  O15  1  0.01598600  0.25079500  0.54593500  1
  O  O16  1  0.65244100  0.25990300  0.39660800  1
  O  O17  1  0.48401400  0.25079500  0.04593500  1
  O  O18  1  0.49149900  0.26049000  0.70306900  1
  O  O19  1  0.00850100  0.26049000  0.20306900  1
  O  O20  1  0.24182300  0.43997600  0.87303800  1
  O  O21  1  0.25817700  0.43997600  0.37303800  1
  O  O22  1  0.74182300  0.56002400  0.62696200  1
  O  O23  1  0.75817700  0.56002400  0.12696200  1
  O  O24  1  0.99149900  0.73951000  0.79693100  1
  O  O25  1  0.50850100  0.73951000  0.29693100  1
  O  O26  1  0.51598600  0.74920500  0.95406500  1
  O  O27  1  0.34755900  0.74009700  0.60339200  1
  O  O28  1  0.98401400  0.74920500  0.45406500  1
  O  O29  1  0.15244100  0.74009700  0.10339200  1
  O  O30  1  0.74817100  0.94305400  0.63065000  1
  O  O31  1  0.75182900  0.94305400  0.13065000  1
