# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63076400
_cell_length_b   8.86552178
_cell_length_c   10.33643106
_cell_angle_alpha   92.21224314
_cell_angle_beta   90.31422278
_cell_angle_gamma   90.44946403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   607.14725184
_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  0.99180100  0.74853400  0.12155600  1.0
  Na  Na1  1  0.50906700  0.75069900  0.12296200  1.0
  Na  Na2  1  0.98305000  0.73532600  0.62508200  1.0
  Na  Na3  1  0.51765900  0.73478000  0.62415800  1.0
  Na  Na4  1  0.48570200  0.26318500  0.36411400  1.0
  Na  Na5  1  0.01081800  0.26243000  0.36824200  1.0
  Na  Na6  1  0.02707600  0.25803500  0.88619100  1.0
  Na  Na7  1  0.26307400  0.08728400  0.61447500  1.0
  Ni  Ni8  1  0.24866300  0.65366800  0.39004600  1.0
  Ni  Ni9  1  0.25154000  0.64931800  0.88871700  1.0
  Ni  Ni10  1  0.74367800  0.34622900  0.10532600  1.0
  Ni  Ni11  1  0.74610600  0.34553200  0.61153800  1.0
  P  P12  1  0.74904200  0.57738600  0.35867500  1.0
  P  P13  1  0.75005100  0.57435300  0.86162900  1.0
  P  P14  1  0.24944300  0.42098800  0.14222300  1.0
  P  P15  1  0.24827700  0.42112200  0.64031300  1.0
  C  C16  1  0.24990000  0.93095600  0.36134200  1.0
  C  C17  1  0.24763300  0.92384300  0.85541500  1.0
  C  C18  1  0.75183800  0.07356400  0.14045900  1.0
  C  C19  1  0.75139000  0.07217600  0.64303700  1.0
  O  O20  1  0.75369300  0.93482100  0.15799300  1.0
  O  O21  1  0.75258400  0.93177900  0.65487300  1.0
  O  O22  1  0.25216100  0.86783100  0.47373800  1.0
  O  O23  1  0.25194800  0.86320800  0.96751000  1.0
  O  O24  1  0.25005800  0.83794000  0.26222000  1.0
  O  O25  1  0.25374100  0.82556400  0.75777400  1.0
  O  O26  1  0.93617100  0.67528300  0.39469800  1.0
  O  O27  1  0.56269400  0.67300900  0.39469800  1.0
  O  O28  1  0.93676400  0.67483200  0.89382600  1.0
  O  O29  1  0.56386100  0.67000000  0.89660200  1.0
  O  O30  1  0.25196100  0.57186800  0.07239400  1.0
  O  O31  1  0.24688700  0.57164600  0.57071500  1.0
  O  O32  1  0.74876900  0.54125600  0.20904300  1.0
  O  O33  1  0.74927900  0.53854400  0.71171000  1.0
  O  O34  1  0.24396700  0.45864100  0.29247700  1.0
  O  O35  1  0.24169300  0.45870800  0.78853000  1.0
  O  O36  1  0.74969900  0.42648400  0.42907700  1.0
  O  O37  1  0.75720400  0.42437100  0.93070800  1.0
  O  O38  1  0.43607300  0.32358000  0.11650300  1.0
  O  O39  1  0.06199400  0.32384400  0.10707600  1.0
  O  O40  1  0.43329300  0.32430600  0.60254800  1.0
  O  O41  1  0.06397500  0.31871500  0.60421200  1.0
  O  O42  1  0.74905400  0.17507800  0.23534700  1.0
  O  O43  1  0.75759700  0.17047700  0.73834700  1.0
  O  O44  1  0.75193100  0.13102300  0.02800100  1.0
  O  O45  1  0.74198000  0.13274800  0.53000400  1.0
  O  O46  1  0.24763400  0.07308300  0.35660700  1.0
  O  O47  1  0.23737000  0.06227600  0.83930700  1.0