# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61799000
_cell_length_b   8.92853187
_cell_length_c   10.35142520
_cell_angle_alpha   88.50779335
_cell_angle_beta   89.84608635
_cell_angle_gamma   89.95406599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   611.44489016
_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  0.00841800  0.75308500  0.87739900  1.0
  Na  Na1  1  0.49349700  0.75439800  0.88310500  1.0
  Na  Na2  1  0.46389600  0.73453700  0.37825700  1.0
  Na  Na3  1  0.51040900  0.26097400  0.62997800  1.0
  Na  Na4  1  0.98812100  0.26066000  0.63376100  1.0
  Na  Na5  1  0.51199400  0.25211300  0.11578200  1.0
  Na  Na6  1  0.98971400  0.25238500  0.11196800  1.0
  Na  Na7  1  0.76988800  0.07611500  0.38826400  1.0
  Ni  Ni8  1  0.75254600  0.65147700  0.60406000  1.0
  Ni  Ni9  1  0.75398900  0.64799600  0.11232200  1.0
  Ni  Ni10  1  0.25349800  0.35249100  0.89048200  1.0
  Ni  Ni11  1  0.24785000  0.34974900  0.39225500  1.0
  P  P12  1  0.24972900  0.57934900  0.64524200  1.0
  P  P13  1  0.25127200  0.57525300  0.14200400  1.0
  P  P14  1  0.75118000  0.42472700  0.85678000  1.0
  P  P15  1  0.74849300  0.41827400  0.35990400  1.0
  C  C16  1  0.74444700  0.92864000  0.63744200  1.0
  C  C17  1  0.74832700  0.92696200  0.14165900  1.0
  C  C18  1  0.25088800  0.07698800  0.85917200  1.0
  C  C19  1  0.25321600  0.07705800  0.35698000  1.0
  O  O20  1  0.25127900  0.93724500  0.84850100  1.0
  O  O21  1  0.26407600  0.93915400  0.34038800  1.0
  O  O22  1  0.73984000  0.86655900  0.52529900  1.0
  O  O23  1  0.75435000  0.86778400  0.02855000  1.0
  O  O24  1  0.74735900  0.83595500  0.73598600  1.0
  O  O25  1  0.74036000  0.83107900  0.23779600  1.0
  O  O26  1  0.05955400  0.67403800  0.61810200  1.0
  O  O27  1  0.43622500  0.67352000  0.60531500  1.0
  O  O28  1  0.06372000  0.66758600  0.10119300  1.0
  O  O29  1  0.43936800  0.67078200  0.10556400  1.0
  O  O30  1  0.75028500  0.57670600  0.92568400  1.0
  O  O31  1  0.73786400  0.56887900  0.42713600  1.0
  O  O32  1  0.25800400  0.54606900  0.79586500  1.0
  O  O33  1  0.25539800  0.53844800  0.29032100  1.0
  O  O34  1  0.74914400  0.45521800  0.70650500  1.0
  O  O35  1  0.75195600  0.44743300  0.20947100  1.0
  O  O36  1  0.24770300  0.42725700  0.57598900  1.0
  O  O37  1  0.25413300  0.42295600  0.07248800  1.0
  O  O38  1  0.56459300  0.32822500  0.89391400  1.0
  O  O39  1  0.94054100  0.33069100  0.89219800  1.0
  O  O40  1  0.56423500  0.31531300  0.39492700  1.0
  O  O41  1  0.93496800  0.32130000  0.40014200  1.0
  O  O42  1  0.25134900  0.17162300  0.76140500  1.0
  O  O43  1  0.24641800  0.17609600  0.26166800  1.0
  O  O44  1  0.25029600  0.14198300  0.97070500  1.0
  O  O45  1  0.24706400  0.13626800  0.47107400  1.0
  O  O46  1  0.74762500  0.07038800  0.64622500  1.0
  O  O47  1  0.75107400  0.06796500  0.15975500  1.0