# generated using pymatgen
data_ZnCuNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21301503
_cell_length_b   7.15267219
_cell_length_c   14.23760126
_cell_angle_alpha   90.02293101
_cell_angle_beta   89.99280434
_cell_angle_gamma   90.00844591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuNiP2O9
_chemical_formula_sum   'Zn4 Cu4 Ni4 P8 O36'
_cell_volume   632.71409422
_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
  Zn  Zn0  1  0.75001500  0.88356100  0.77792700  1.0
  Zn  Zn1  1  0.74999300  0.61599800  0.27681500  1.0
  Zn  Zn2  1  0.24995900  0.11655200  0.22208200  1.0
  Zn  Zn3  1  0.25000400  0.38315400  0.72288900  1.0
  Cu  Cu4  1  0.75008600  0.35482300  0.87898900  1.0
  Cu  Cu5  1  0.24994600  0.64555900  0.12116400  1.0
  Cu  Cu6  1  0.25016100  0.85544500  0.62168500  1.0
  Cu  Cu7  1  0.74982800  0.14477000  0.37836600  1.0
  Ni  Ni8  1  0.50000300  0.00020900  0.00028000  1.0
  Ni  Ni9  1  0.49999400  0.49993700  0.50007600  1.0
  Ni  Ni10  1  0.00005600  0.49993900  0.50010500  1.0
  Ni  Ni11  1  0.99996100  0.00016900  0.00029200  1.0
  P  P12  1  0.25004700  0.36379000  0.93060800  1.0
  P  P13  1  0.74997300  0.63630100  0.06959000  1.0
  P  P14  1  0.75005600  0.86434900  0.56970100  1.0
  P  P15  1  0.24993700  0.13563600  0.43020300  1.0
  P  P16  1  0.75002700  0.38590400  0.69808600  1.0
  P  P17  1  0.24995700  0.61409300  0.30189800  1.0
  P  P18  1  0.24997100  0.88518300  0.80220100  1.0
  P  P19  1  0.74999900  0.11511200  0.19786900  1.0
  O  O20  1  0.03790100  0.60782000  0.35990500  1.0
  O  O21  1  0.53773800  0.39182500  0.63996800  1.0
  O  O22  1  0.96219900  0.10816800  0.14004600  1.0
  O  O23  1  0.46211300  0.89207600  0.86003400  1.0
  O  O24  1  0.96231300  0.39188900  0.63993600  1.0
  O  O25  1  0.46203900  0.60786000  0.35986100  1.0
  O  O26  1  0.03782300  0.89199900  0.86004900  1.0
  O  O27  1  0.53780400  0.10814300  0.14006100  1.0
  O  O28  1  0.25008400  0.32807500  0.48035800  1.0
  O  O29  1  0.74994900  0.67164900  0.51967600  1.0
  O  O30  1  0.74996700  0.82857000  0.01994600  1.0
  O  O31  1  0.24994200  0.17163700  0.98045300  1.0
  O  O32  1  0.75005300  0.13410900  0.94839000  1.0
  O  O33  1  0.24996300  0.86428500  0.05118100  1.0
  O  O34  1  0.25027600  0.63740500  0.54905600  1.0
  O  O35  1  0.74975800  0.36238600  0.45101100  1.0
  O  O36  1  0.75009500  0.20404200  0.75939000  1.0
  O  O37  1  0.24991600  0.79574200  0.24010400  1.0
  O  O38  1  0.25000800  0.70279300  0.74079200  1.0
  O  O39  1  0.74997500  0.29756300  0.25923300  1.0
  O  O40  1  0.43563300  0.12820000  0.35657800  1.0
  O  O41  1  0.93599900  0.87167900  0.64319300  1.0
  O  O42  1  0.56431200  0.62850800  0.14309500  1.0
  O  O43  1  0.06436800  0.37177700  0.85707600  1.0
  O  O44  1  0.56426900  0.87183400  0.64330000  1.0
  O  O45  1  0.06409500  0.12836600  0.35667800  1.0
  O  O46  1  0.43585900  0.37162200  0.85713300  1.0
  O  O47  1  0.93553100  0.62854400  0.14314000  1.0
  O  O48  1  0.75005500  0.95431200  0.27348000  1.0
  O  O49  1  0.24991500  0.04617100  0.72661300  1.0
  O  O50  1  0.24994400  0.45364600  0.22590600  1.0
  O  O51  1  0.75000500  0.54713900  0.77345100  1.0
  O  O52  1  0.74993600  0.02139100  0.50024700  1.0
  O  O53  1  0.24999800  0.97818700  0.49954900  1.0
  O  O54  1  0.25006000  0.52185100  0.00002200  1.0
  O  O55  1  0.75013100  0.47825300  0.00026200  1.0