# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14242390
_cell_length_b   10.43543815
_cell_length_c   6.63833665
_cell_angle_alpha   90.26421422
_cell_angle_beta   90.51004679
_cell_angle_gamma   60.18395349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   609.57504177
_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  0.00885800  0.25602300  0.48173600  1.0
  Na  Na1  1  0.01020800  0.25512100  0.01549600  1.0
  Na  Na2  1  0.48460800  0.25594200  0.97166900  1.0
  Na  Na3  1  0.84304100  0.06765400  0.73644300  1.0
  Na  Na4  1  0.50149900  0.74951000  0.00907000  1.0
  Na  Na5  1  0.50136800  0.74786400  0.49153200  1.0
  Na  Na6  1  0.00024200  0.73826800  0.98977000  1.0
  Na  Na7  1  0.00320200  0.73402800  0.51371000  1.0
  Ni  Ni8  1  0.28575400  0.06622400  0.74900300  1.0
  Ni  Ni9  1  0.22096400  0.43084200  0.25863500  1.0
  Ni  Ni10  1  0.78507900  0.56584100  0.75044500  1.0
  Ni  Ni11  1  0.71501700  0.93591600  0.25499400  1.0
  P  P12  1  0.35212800  0.07192900  0.25038700  1.0
  P  P13  1  0.14677900  0.43458800  0.75124200  1.0
  P  P14  1  0.85189400  0.57033700  0.25048800  1.0
  P  P15  1  0.65081800  0.92805300  0.75247300  1.0
  C  C16  1  0.82115100  0.10567500  0.24843700  1.0
  C  C17  1  0.32350700  0.60262000  0.24845600  1.0
  C  C18  1  0.68242000  0.39376800  0.75257600  1.0
  C  C19  1  0.17081900  0.89920500  0.74943800  1.0
  O  O20  1  0.09145300  0.04371700  0.74713000  1.0
  O  O21  1  0.26810200  0.05778800  0.06320700  1.0
  O  O22  1  0.26925500  0.06137100  0.43778300  1.0
  O  O23  1  0.14302000  0.28904100  0.74838000  1.0
  O  O24  1  0.01966100  0.43746900  0.25128500  1.0
  O  O25  1  0.48478500  0.05776700  0.75940100  1.0
  O  O26  1  0.35639900  0.21690100  0.24234100  1.0
  O  O27  1  0.22862000  0.44719700  0.93999900  1.0
  O  O28  1  0.21918800  0.45690900  0.56288400  1.0
  O  O29  1  0.67703400  0.15206700  0.24233000  1.0
  O  O30  1  0.17822700  0.64858500  0.25164600  1.0
  O  O31  1  0.40701100  0.46103800  0.24794400  1.0
  O  O32  1  0.63090000  0.30720800  0.76180700  1.0
  O  O33  1  0.10387800  0.82396400  0.75198700  1.0
  O  O34  1  0.87762600  0.18919300  0.24617000  1.0
  O  O35  1  0.37600500  0.68897300  0.24682200  1.0
  O  O36  1  0.59989100  0.53671100  0.74866000  1.0
  O  O37  1  0.82876200  0.34569100  0.74727300  1.0
  O  O38  1  0.31638500  0.84392500  0.74885700  1.0
  O  O39  1  0.76985600  0.55704600  0.06195600  1.0
  O  O40  1  0.76945800  0.55925300  0.43741600  1.0
  O  O41  1  0.64319200  0.78358400  0.75348300  1.0
  O  O42  1  0.51866700  0.93880900  0.25004900  1.0
  O  O43  1  0.97755400  0.56774800  0.75351000  1.0
  O  O44  1  0.85785500  0.71563200  0.24975500  1.0
  O  O45  1  0.73709200  0.93664900  0.56679800  1.0
  O  O46  1  0.73900700  0.94088900  0.93643000  1.0
  O  O47  1  0.90456300  0.96233900  0.25885200  1.0