# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61745700
_cell_length_b   8.87990947
_cell_length_c   10.29322307
_cell_angle_alpha   88.60854309
_cell_angle_beta   89.71486763
_cell_angle_gamma   89.54542472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   604.65037546
_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
  Na  Na0  1  0.01032500  0.75157400  0.87773500  1.0
  Na  Na1  1  0.48904000  0.75095600  0.88012200  1.0
  Na  Na2  1  0.01419000  0.73565100  0.37721400  1.0
  Na  Na3  1  0.48178700  0.73518100  0.37635600  1.0
  Na  Na4  1  0.97785500  0.26297700  0.63361200  1.0
  Na  Na5  1  0.51335200  0.25482000  0.11775600  1.0
  Na  Na6  1  0.99101900  0.25243400  0.11369800  1.0
  Na  Na7  1  0.73139100  0.08968200  0.40475900  1.0
  Ni  Ni8  1  0.74812600  0.64812000  0.60972400  1.0
  Ni  Ni9  1  0.75279000  0.65238300  0.11089800  1.0
  Ni  Ni10  1  0.25634700  0.35049500  0.88774100  1.0
  Ni  Ni11  1  0.25192100  0.34484600  0.39332700  1.0
  P  P12  1  0.24969500  0.57438200  0.63944500  1.0
  P  P13  1  0.25053500  0.57723100  0.14226600  1.0
  P  P14  1  0.75194200  0.42563000  0.85862700  1.0
  P  P15  1  0.75053000  0.41785100  0.35376500  1.0
  C  C16  1  0.75326400  0.92355200  0.64148900  1.0
  C  C17  1  0.75015000  0.92877500  0.14808800  1.0
  C  C18  1  0.25155400  0.07663000  0.85710100  1.0
  C  C19  1  0.24629300  0.07062100  0.35566400  1.0
  O  O20  1  0.24829500  0.93595900  0.84404700  1.0
  O  O21  1  0.24645400  0.93019400  0.33848100  1.0
  O  O22  1  0.74779300  0.85938200  0.52726100  1.0
  O  O23  1  0.74967100  0.86885800  0.03432600  1.0
  O  O24  1  0.74724100  0.82913500  0.73985400  1.0
  O  O25  1  0.74839800  0.83264000  0.24641900  1.0
  O  O26  1  0.06263800  0.67489700  0.60621800  1.0
  O  O27  1  0.43674500  0.66972100  0.60208600  1.0
  O  O28  1  0.06431500  0.67650000  0.10680600  1.0
  O  O29  1  0.43884600  0.67268900  0.10750700  1.0
  O  O30  1  0.75393200  0.57893500  0.92710500  1.0
  O  O31  1  0.74802500  0.56849800  0.42548100  1.0
  O  O32  1  0.25023900  0.54199300  0.79049000  1.0
  O  O33  1  0.24804000  0.54079900  0.29254800  1.0
  O  O34  1  0.75555900  0.46005300  0.70906500  1.0
  O  O35  1  0.76231500  0.45518800  0.20334100  1.0
  O  O36  1  0.24165500  0.42316400  0.56995700  1.0
  O  O37  1  0.25012400  0.42554100  0.07065600  1.0
  O  O38  1  0.56519700  0.33166500  0.89883500  1.0
  O  O39  1  0.94029400  0.32701600  0.89282900  1.0
  O  O40  1  0.56078400  0.32026500  0.37702000  1.0
  O  O41  1  0.93372400  0.31634400  0.39261700  1.0
  O  O42  1  0.25062700  0.17396300  0.76105400  1.0
  O  O43  1  0.24892600  0.17059700  0.26033500  1.0
  O  O44  1  0.25607200  0.13894900  0.97078700  1.0
  O  O45  1  0.24600300  0.12863700  0.47004400  1.0
  O  O46  1  0.76400300  0.06450700  0.64814800  1.0
  O  O47  1  0.75213600  0.07044100  0.16526500  1.0