# generated using pymatgen
data_Li2Ti4Ni(PO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46792200
_cell_length_b   7.31638103
_cell_length_c   7.42793506
_cell_angle_alpha   90.19003465
_cell_angle_beta   90.26864865
_cell_angle_gamma   90.75904994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti4Ni(PO5)4
_chemical_formula_sum   'Li2 Ti4 Ni1 P4 O20'
_cell_volume   351.46640685
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Ti  Ti2  1  0.23558500  0.77365800  0.65958500  1
  Ti  Ti3  1  0.25061400  0.71943400  0.15981100  1
  Ti  Ti4  1  0.74938600  0.28056600  0.84018900  1
  Ti  Ti5  1  0.76441500  0.22634200  0.34041500  1
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1
  P  P7  1  0.25417500  0.36875700  0.87162600  1
  P  P8  1  0.25031500  0.12542500  0.37260200  1
  P  P9  1  0.74968500  0.87457500  0.62739800  1
  P  P10  1  0.74582500  0.63124300  0.12837400  1
  O  O11  1  0.05615100  0.24911500  0.86186300  1
  O  O12  1  0.05811700  0.24730600  0.37062000  1
  O  O13  1  0.25092100  0.00983100  0.54586400  1
  O  O14  1  0.24767400  0.48588400  0.04523700  1
  O  O15  1  0.24478600  0.83646900  0.88559900  1
  O  O16  1  0.27861100  0.65640800  0.38439100  1
  O  O17  1  0.27213500  0.49557700  0.70443000  1
  O  O18  1  0.25140800  0.00012400  0.20261500  1
  O  O19  1  0.44187700  0.24159900  0.87963800  1
  O  O20  1  0.44183800  0.25395600  0.36886800  1
  O  O21  1  0.55816200  0.74604400  0.63113200  1
  O  O22  1  0.55812300  0.75840100  0.12036200  1
  O  O23  1  0.74859200  0.99987600  0.79738500  1
  O  O24  1  0.72786500  0.50442300  0.29557000  1
  O  O25  1  0.72138900  0.34359200  0.61560900  1
  O  O26  1  0.75521400  0.16353100  0.11440100  1
  O  O27  1  0.75232600  0.51411600  0.95476300  1
  O  O28  1  0.74907900  0.99016900  0.45413600  1
  O  O29  1  0.94188300  0.75269400  0.62938000  1
  O  O30  1  0.94384900  0.75088500  0.13813700  1
