# generated using pymatgen
data_CaNi2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46627600
_cell_length_b   7.31946800
_cell_length_c   14.25984200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2P2O9
_chemical_formula_sum   'Ca4 Ni8 P8 O36'
_cell_volume   674.91404763
_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
  Ca  Ca0  1  0.75000000  0.37930600  0.27985600  1.0
  Ca  Ca1  1  0.75000000  0.12069400  0.77985600  1.0
  Ca  Ca2  1  0.25000000  0.62069400  0.72014400  1.0
  Ca  Ca3  1  0.25000000  0.87930600  0.22014400  1.0
  Ni  Ni4  1  0.75000000  0.85008200  0.37665500  1.0
  Ni  Ni5  1  0.25000000  0.14991800  0.62334500  1.0
  Ni  Ni6  1  0.25000000  0.35008200  0.12334500  1.0
  Ni  Ni7  1  0.75000000  0.64991800  0.87665500  1.0
  Ni  Ni8  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.00000000  0.50000000  0.50000000  1.0
  P  P12  1  0.25000000  0.85875600  0.43543800  1.0
  P  P13  1  0.75000000  0.14124400  0.56456200  1.0
  P  P14  1  0.75000000  0.35875600  0.06456200  1.0
  P  P15  1  0.25000000  0.64124400  0.93543800  1.0
  P  P16  1  0.75000000  0.88667500  0.19240600  1.0
  P  P17  1  0.25000000  0.11332500  0.80759400  1.0
  P  P18  1  0.25000000  0.38667500  0.30759400  1.0
  P  P19  1  0.75000000  0.61332500  0.69240600  1.0
  O  O20  1  0.05233300  0.10523500  0.86780900  1.0
  O  O21  1  0.55233300  0.89476500  0.13219100  1.0
  O  O22  1  0.94766700  0.60523500  0.63219100  1.0
  O  O23  1  0.44766700  0.39476500  0.36780900  1.0
  O  O24  1  0.94766700  0.89476500  0.13219100  1.0
  O  O25  1  0.44766700  0.10523500  0.86780900  1.0
  O  O26  1  0.05233300  0.39476500  0.36780900  1.0
  O  O27  1  0.55233300  0.60523500  0.63219100  1.0
  O  O28  1  0.25000000  0.83274900  0.98735900  1.0
  O  O29  1  0.75000000  0.16725100  0.01264100  1.0
  O  O30  1  0.75000000  0.33274900  0.51264100  1.0
  O  O31  1  0.25000000  0.66725100  0.48735900  1.0
  O  O32  1  0.75000000  0.63058900  0.44651300  1.0
  O  O33  1  0.25000000  0.36941100  0.55348700  1.0
  O  O34  1  0.25000000  0.13058900  0.05348700  1.0
  O  O35  1  0.75000000  0.86941100  0.94651300  1.0
  O  O36  1  0.75000000  0.70918900  0.25331500  1.0
  O  O37  1  0.25000000  0.29081100  0.74668500  1.0
  O  O38  1  0.25000000  0.20918900  0.24668500  1.0
  O  O39  1  0.75000000  0.79081100  0.75331500  1.0
  O  O40  1  0.43656800  0.63773300  0.86726200  1.0
  O  O41  1  0.93656800  0.36226700  0.13273800  1.0
  O  O42  1  0.56343200  0.13773300  0.63273800  1.0
  O  O43  1  0.06343200  0.86226700  0.36726200  1.0
  O  O44  1  0.56343200  0.36226700  0.13273800  1.0
  O  O45  1  0.06343200  0.63773300  0.86726200  1.0
  O  O46  1  0.43656800  0.86226700  0.36726200  1.0
  O  O47  1  0.93656800  0.13773300  0.63273800  1.0
  O  O48  1  0.75000000  0.46251800  0.77054400  1.0
  O  O49  1  0.25000000  0.53748200  0.22945600  1.0
  O  O50  1  0.25000000  0.96251800  0.72945600  1.0
  O  O51  1  0.75000000  0.03748200  0.27054400  1.0
  O  O52  1  0.75000000  0.50639300  0.99138100  1.0
  O  O53  1  0.25000000  0.49360700  0.00861900  1.0
  O  O54  1  0.25000000  0.00639300  0.50861900  1.0
  O  O55  1  0.75000000  0.99360700  0.49138100  1.0