# generated using pymatgen
data_Li2Ti4Ni(PO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45344900
_cell_length_b   7.33409992
_cell_length_c   7.47851613
_cell_angle_alpha   90.17205906
_cell_angle_beta   90.12149431
_cell_angle_gamma   90.70228365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti4Ni(PO5)4
_chemical_formula_sum   'Li2 Ti4 Ni1 P4 O20'
_cell_volume   353.93095330
_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  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti2  1  0.26122100  0.72837900  0.84003400  1
  Ti  Ti3  1  0.75533300  0.21459500  0.66962500  1
  Ti  Ti4  1  0.73877900  0.27162100  0.15996600  1
  Ti  Ti5  1  0.24466700  0.78540500  0.33037500  1
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1
  P  P7  1  0.75139300  0.62455000  0.87308300  1
  P  P8  1  0.24613200  0.12648600  0.62425400  1
  P  P9  1  0.24860700  0.37545000  0.12691700  1
  P  P10  1  0.75386800  0.87351400  0.37574600  1
  O  O11  1  0.55707200  0.74778400  0.36951400  1
  O  O12  1  0.44191000  0.25588400  0.12919800  1
  O  O13  1  0.44292800  0.25221600  0.63048600  1
  O  O14  1  0.55809000  0.74411600  0.87080200  1
  O  O15  1  0.75387200  0.50684400  0.04272900  1
  O  O16  1  0.24957800  0.01715800  0.44714200  1
  O  O17  1  0.24612800  0.49315600  0.95727100  1
  O  O18  1  0.75042200  0.98284200  0.55285800  1
  O  O19  1  0.26442500  0.64668900  0.61536900  1
  O  O20  1  0.76803200  0.15984100  0.89054500  1
  O  O21  1  0.73557500  0.35331100  0.38463100  1
  O  O22  1  0.23196800  0.84015900  0.10945500  1
  O  O23  1  0.94554600  0.74743200  0.86353400  1
  O  O24  1  0.05708000  0.25445500  0.62237400  1
  O  O25  1  0.05445400  0.25256800  0.13646600  1
  O  O26  1  0.94292000  0.74554500  0.37762600  1
  O  O27  1  0.74345700  0.49765500  0.70089100  1
  O  O28  1  0.23868000  0.99902100  0.78669100  1
  O  O29  1  0.25654300  0.50234500  0.29910900  1
  O  O30  1  0.76132000  0.00097900  0.21330900  1
