# generated using pymatgen
data_CrNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31295100
_cell_length_b   7.85935600
_cell_length_c   13.72097100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiP2O9
_chemical_formula_sum   'Cr4 Ni4 P8 O36'
_cell_volume   680.77598314
_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
  Cr  Cr0  1  0.75000000  0.85202500  0.88317100  1.0
  Cr  Cr1  1  0.25000000  0.14797500  0.11682900  1.0
  Cr  Cr2  1  0.25000000  0.35202500  0.61682900  1.0
  Cr  Cr3  1  0.75000000  0.64797500  0.38317100  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.00000000  0.50000000  0.00000000  1.0
  P  P8  1  0.25000000  0.84482800  0.93955800  1.0
  P  P9  1  0.75000000  0.15517200  0.06044200  1.0
  P  P10  1  0.75000000  0.34482800  0.56044200  1.0
  P  P11  1  0.25000000  0.65517200  0.43955800  1.0
  P  P12  1  0.75000000  0.88980000  0.69079600  1.0
  P  P13  1  0.25000000  0.11020000  0.30920400  1.0
  P  P14  1  0.25000000  0.38980000  0.80920400  1.0
  P  P15  1  0.75000000  0.61020000  0.19079600  1.0
  O  O16  1  0.04886100  0.10083100  0.37102900  1.0
  O  O17  1  0.54886100  0.89916900  0.62897100  1.0
  O  O18  1  0.95113900  0.60083100  0.12897100  1.0
  O  O19  1  0.45113900  0.39916900  0.87102900  1.0
  O  O20  1  0.95113900  0.89916900  0.62897100  1.0
  O  O21  1  0.45113900  0.10083100  0.37102900  1.0
  O  O22  1  0.04886100  0.39916900  0.87102900  1.0
  O  O23  1  0.54886100  0.60083100  0.12897100  1.0
  O  O24  1  0.25000000  0.83997400  0.48108100  1.0
  O  O25  1  0.75000000  0.16002600  0.51891900  1.0
  O  O26  1  0.75000000  0.33997400  0.01891900  1.0
  O  O27  1  0.25000000  0.66002600  0.98108100  1.0
  O  O28  1  0.75000000  0.66365800  0.94533700  1.0
  O  O29  1  0.25000000  0.33634200  0.05466300  1.0
  O  O30  1  0.25000000  0.16365800  0.55466300  1.0
  O  O31  1  0.75000000  0.83634200  0.44533700  1.0
  O  O32  1  0.75000000  0.72658500  0.75671500  1.0
  O  O33  1  0.25000000  0.27341500  0.24328500  1.0
  O  O34  1  0.25000000  0.22658500  0.74328500  1.0
  O  O35  1  0.75000000  0.77341500  0.25671500  1.0
  O  O36  1  0.44623000  0.63364400  0.37453500  1.0
  O  O37  1  0.94623000  0.36635600  0.62546500  1.0
  O  O38  1  0.55377000  0.13364400  0.12546500  1.0
  O  O39  1  0.05377000  0.86635600  0.87453500  1.0
  O  O40  1  0.55377000  0.36635600  0.62546500  1.0
  O  O41  1  0.05377000  0.63364400  0.37453500  1.0
  O  O42  1  0.44623000  0.86635600  0.87453500  1.0
  O  O43  1  0.94623000  0.13364400  0.12546500  1.0
  O  O44  1  0.75000000  0.47502400  0.27494300  1.0
  O  O45  1  0.25000000  0.52497600  0.72505700  1.0
  O  O46  1  0.25000000  0.97502400  0.22505700  1.0
  O  O47  1  0.75000000  0.02497600  0.77494300  1.0
  O  O48  1  0.75000000  0.47713000  0.47730600  1.0
  O  O49  1  0.25000000  0.52287000  0.52269400  1.0
  O  O50  1  0.25000000  0.97713000  0.02269400  1.0
  O  O51  1  0.75000000  0.02287000  0.97730600  1.0