# generated using pymatgen
data_Na2NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36596600
_cell_length_b   8.39991985
_cell_length_c   8.87409364
_cell_angle_alpha   91.20628091
_cell_angle_beta   90.54003794
_cell_angle_gamma   104.38531659
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiPCO7
_chemical_formula_sum   'Na8 Ni4 P4 C4 O28'
_cell_volume   603.85786400
_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  0.13256600  0.11490200  0.73422700  1.0
  Na  Na1  1  0.62819900  0.61635100  0.74887100  1.0
  Na  Na2  1  0.86300100  0.38357000  0.73434700  1.0
  Na  Na3  1  0.36533900  0.87739500  0.74852400  1.0
  Na  Na4  1  0.13760500  0.62558100  0.25642400  1.0
  Na  Na5  1  0.38386300  0.38529700  0.24959700  1.0
  Na  Na6  1  0.85191000  0.88267000  0.26850300  1.0
  Na  Na7  1  0.96309000  0.22991700  0.08765300  1.0
  Ni  Ni8  1  0.76231000  0.01436700  0.64925600  1.0
  Ni  Ni9  1  0.26507500  0.51167700  0.65283800  1.0
  Ni  Ni10  1  0.23964500  0.98454600  0.34627500  1.0
  Ni  Ni11  1  0.73636400  0.48275300  0.34681700  1.0
  P  P12  1  0.48622300  0.23448000  0.57533300  1.0
  P  P13  1  0.98354500  0.73471800  0.57778800  1.0
  P  P14  1  0.02189900  0.27096100  0.41868400  1.0
  P  P15  1  0.51465300  0.76378800  0.42377300  1.0
  C  C16  1  0.22711100  0.47731700  0.92711500  1.0
  C  C17  1  0.73459800  0.98183200  0.92462700  1.0
  C  C18  1  0.26919100  0.01758700  0.07432300  1.0
  C  C19  1  0.76854100  0.52119500  0.07417100  1.0
  O  O20  1  0.27699900  0.03453900  0.93422000  1.0
  O  O21  1  0.78655400  0.53424600  0.93445800  1.0
  O  O22  1  0.34036500  0.59036100  0.86614400  1.0
  O  O23  1  0.84486900  0.09773800  0.85823400  1.0
  O  O24  1  0.12815300  0.37984600  0.83096200  1.0
  O  O25  1  0.63320200  0.88459300  0.83200300  1.0
  O  O26  1  0.11186100  0.67483600  0.67205200  1.0
  O  O27  1  0.61316200  0.17505200  0.67205200  1.0
  O  O28  1  0.42534400  0.35906100  0.67683300  1.0
  O  O29  1  0.92402800  0.86262100  0.67490300  1.0
  O  O30  1  0.94648000  0.19923400  0.56738000  1.0
  O  O31  1  0.44783100  0.69287700  0.57699400  1.0
  O  O32  1  0.33448400  0.08583200  0.53901500  1.0
  O  O33  1  0.83307400  0.58411500  0.54189800  1.0
  O  O34  1  0.17743100  0.41556200  0.45665000  1.0
  O  O35  1  0.66525300  0.91176100  0.46081900  1.0
  O  O36  1  0.05296900  0.80749600  0.42609800  1.0
  O  O37  1  0.55697400  0.30911500  0.42659100  1.0
  O  O38  1  0.07551500  0.14157100  0.31702500  1.0
  O  O39  1  0.38169700  0.81734900  0.33176800  1.0
  O  O40  1  0.90581700  0.34327900  0.31996500  1.0
  O  O41  1  0.57548300  0.63792200  0.32504500  1.0
  O  O42  1  0.36596300  0.11239200  0.17165800  1.0
  O  O43  1  0.86351300  0.61739000  0.17368100  1.0
  O  O44  1  0.65660500  0.40634800  0.13454900  1.0
  O  O45  1  0.15753800  0.90250600  0.13711900  1.0
  O  O46  1  0.21132400  0.46029800  0.06804600  1.0
  O  O47  1  0.73489200  0.97310800  0.06502000  1.0