# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52318700
_cell_length_b   10.25018200
_cell_length_c   10.38439975
_cell_angle_alpha   61.07369985
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   607.71680957
_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  0.73244800  0.73618800  0.25842600  1.0
  Na  Na1  1  0.26623700  0.73608000  0.25700900  1.0
  Na  Na2  1  0.23096100  0.26847100  0.23834100  1.0
  Na  Na3  1  0.00283200  0.08887700  0.06206900  1.0
  Na  Na4  1  0.99716800  0.08887700  0.56206900  1.0
  Na  Na5  1  0.26755200  0.73618800  0.75842600  1.0
  Na  Na6  1  0.73376300  0.73608000  0.75700900  1.0
  Na  Na7  1  0.76903900  0.26847100  0.73834100  1.0
  Ni  Ni8  1  0.00018900  0.65260800  0.06197900  1.0
  Ni  Ni9  1  0.49783300  0.34492200  0.43840200  1.0
  Ni  Ni10  1  0.99981100  0.65260800  0.56197900  1.0
  Ni  Ni11  1  0.50216700  0.34492200  0.93840200  1.0
  P  P12  1  0.50215000  0.57380100  0.07321900  1.0
  P  P13  1  0.99930000  0.42243600  0.43123200  1.0
  P  P14  1  0.49785000  0.57380100  0.57321900  1.0
  P  P15  1  0.00070000  0.42243600  0.93123200  1.0
  C  C16  1  0.50232200  0.06837200  0.10872300  1.0
  C  C17  1  0.49767800  0.06837200  0.60872300  1.0
  C  C18  1  0.00433700  0.92931400  0.39055200  1.0
  C  C19  1  0.99566300  0.92931400  0.89055200  1.0
  O  O20  1  0.00006400  0.86788200  0.03430300  1.0
  O  O21  1  0.31348200  0.67311000  0.05814600  1.0
  O  O22  1  0.68986300  0.67300300  0.05861300  1.0
  O  O23  1  0.99583900  0.57008100  0.28449800  1.0
  O  O24  1  0.49758700  0.53956600  0.44169300  1.0
  O  O25  1  0.00118800  0.46298500  0.05851300  1.0
  O  O26  1  0.49793000  0.42763700  0.21995400  1.0
  O  O27  1  0.18577800  0.32405300  0.44090500  1.0
  O  O28  1  0.81042600  0.32052800  0.45794700  1.0
  O  O29  1  0.49487200  0.16837700  0.15262600  1.0
  O  O30  1  0.50512800  0.16837700  0.65262600  1.0
  O  O31  1  0.48904200  0.12688100  0.46642100  1.0
  O  O32  1  0.01289300  0.06905500  0.30904700  1.0
  O  O33  1  0.98710700  0.06905500  0.80904700  1.0
  O  O34  1  0.50034900  0.93013200  0.19568300  1.0
  O  O35  1  0.49965100  0.93013200  0.69568300  1.0
  O  O36  1  0.99993600  0.86788200  0.53430300  1.0
  O  O37  1  0.99958900  0.83596500  0.33857100  1.0
  O  O38  1  0.00041100  0.83596500  0.83857100  1.0
  O  O39  1  0.31013700  0.67300300  0.55861300  1.0
  O  O40  1  0.68651800  0.67311000  0.55814600  1.0
  O  O41  1  0.00416100  0.57008100  0.78449800  1.0
  O  O42  1  0.50241300  0.53956600  0.94169300  1.0
  O  O43  1  0.99881200  0.46298500  0.55851300  1.0
  O  O44  1  0.50207000  0.42763700  0.71995400  1.0
  O  O45  1  0.81422200  0.32405300  0.94090500  1.0
  O  O46  1  0.18957400  0.32052800  0.95794700  1.0
  O  O47  1  0.51095800  0.12688100  0.96642100  1.0