# generated using pymatgen
data_MgCoNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23268300
_cell_length_b   7.22943100
_cell_length_c   14.22576804
_cell_angle_alpha   88.78507444
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoNiP2O9
_chemical_formula_sum   'Mg4 Co4 Ni4 P8 O36'
_cell_volume   640.85125007
_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
  Mg  Mg0  1  0.75000000  0.89095600  0.27694700  1.0
  Mg  Mg1  1  0.75000000  0.64479500  0.77041000  1.0
  Mg  Mg2  1  0.25000000  0.10904400  0.72305300  1.0
  Mg  Mg3  1  0.25000000  0.35520500  0.22959000  1.0
  Co  Co4  1  0.75000000  0.35068000  0.38014500  1.0
  Co  Co5  1  0.25000000  0.64932000  0.61985500  1.0
  Co  Co6  1  0.25000000  0.85297300  0.12266100  1.0
  Co  Co7  1  0.75000000  0.14702700  0.87733900  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni11  1  0.50000000  0.00000000  0.50000000  1.0
  P  P12  1  0.25000000  0.35929800  0.43400800  1.0
  P  P13  1  0.75000000  0.64070200  0.56599200  1.0
  P  P14  1  0.75000000  0.86383200  0.07105200  1.0
  P  P15  1  0.25000000  0.13616800  0.92894800  1.0
  P  P16  1  0.75000000  0.38313200  0.19794600  1.0
  P  P17  1  0.25000000  0.61686800  0.80205400  1.0
  P  P18  1  0.25000000  0.89340300  0.30489900  1.0
  P  P19  1  0.75000000  0.10659700  0.69510100  1.0
  O  O20  1  0.46242400  0.60387900  0.85844800  1.0
  O  O21  1  0.96242400  0.39612100  0.14155200  1.0
  O  O22  1  0.53742800  0.10461800  0.63807200  1.0
  O  O23  1  0.03742800  0.89538200  0.36192800  1.0
  O  O24  1  0.53757600  0.39612100  0.14155200  1.0
  O  O25  1  0.03757600  0.60387900  0.85844800  1.0
  O  O26  1  0.46257200  0.89538200  0.36192800  1.0
  O  O27  1  0.96257200  0.10461800  0.63807200  1.0
  O  O28  1  0.25000000  0.32310900  0.97914800  1.0
  O  O29  1  0.75000000  0.67689100  0.02085200  1.0
  O  O30  1  0.75000000  0.83435900  0.51820100  1.0
  O  O31  1  0.25000000  0.16564100  0.48179900  1.0
  O  O32  1  0.75000000  0.14900600  0.44718600  1.0
  O  O33  1  0.25000000  0.85099400  0.55281400  1.0
  O  O34  1  0.25000000  0.64328100  0.04747100  1.0
  O  O35  1  0.75000000  0.35671900  0.95252900  1.0
  O  O36  1  0.75000000  0.19980500  0.25853700  1.0
  O  O37  1  0.25000000  0.80019500  0.74146300  1.0
  O  O38  1  0.25000000  0.71424400  0.24416200  1.0
  O  O39  1  0.75000000  0.28575600  0.75583800  1.0
  O  O40  1  0.06056100  0.12777700  0.85735700  1.0
  O  O41  1  0.56056100  0.87222300  0.14264300  1.0
  O  O42  1  0.93800100  0.62829500  0.63804500  1.0
  O  O43  1  0.43800100  0.37170500  0.36195500  1.0
  O  O44  1  0.93943900  0.87222300  0.14264300  1.0
  O  O45  1  0.43943900  0.12777700  0.85735700  1.0
  O  O46  1  0.06199900  0.37170500  0.36195500  1.0
  O  O47  1  0.56199900  0.62829500  0.63804500  1.0
  O  O48  1  0.75000000  0.93965000  0.76809900  1.0
  O  O49  1  0.25000000  0.06035000  0.23190100  1.0
  O  O50  1  0.25000000  0.46258000  0.72441400  1.0
  O  O51  1  0.75000000  0.53742000  0.27558600  1.0
  O  O52  1  0.75000000  0.02387000  0.00134700  1.0
  O  O53  1  0.25000000  0.97613000  0.99865300  1.0
  O  O54  1  0.25000000  0.50359400  0.50782200  1.0
  O  O55  1  0.75000000  0.49640600  0.49217800  1.0