# generated using pymatgen
data_MgNi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21703800
_cell_length_b   7.45856400
_cell_length_c   10.20131081
_cell_angle_alpha   79.71816948
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi3P3O13
_chemical_formula_sum   'Mg2 Ni6 P6 O26'
_cell_volume   465.44040788
_cell_formula_units_Z   2
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  0.36420500  0.16989300  1.0
  Mg  Mg1  1  0.25000000  0.63579500  0.83010700  1.0
  Ni  Ni2  1  0.25000000  0.63972800  0.20074700  1.0
  Ni  Ni3  1  0.75000000  0.36027200  0.79925300  1.0
  Ni  Ni4  1  0.25000000  0.23744400  0.43559700  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni6  1  0.75000000  0.76255600  0.56440300  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  P  P8  1  0.25000000  0.79077600  0.48842800  1.0
  P  P9  1  0.75000000  0.20922400  0.51157200  1.0
  P  P10  1  0.25000000  0.26365300  0.76302800  1.0
  P  P11  1  0.75000000  0.73634700  0.23697200  1.0
  P  P12  1  0.75000000  0.68220200  0.88640600  1.0
  P  P13  1  0.25000000  0.31779800  0.11359400  1.0
  O  O14  1  0.75000000  0.62579400  0.74608100  1.0
  O  O15  1  0.56202100  0.24602500  0.40919100  1.0
  O  O16  1  0.25000000  0.20355100  0.62962200  1.0
  O  O17  1  0.53728400  0.78663300  0.89694000  1.0
  O  O18  1  0.75000000  0.35117300  0.60354900  1.0
  O  O19  1  0.75000000  0.12381900  0.90425100  1.0
  O  O20  1  0.25000000  0.64882700  0.39645100  1.0
  O  O21  1  0.03728400  0.21336700  0.10306000  1.0
  O  O22  1  0.25000000  0.98104800  0.40301200  1.0
  O  O23  1  0.75000000  0.01895200  0.59698800  1.0
  O  O24  1  0.06305500  0.39254400  0.78911000  1.0
  O  O25  1  0.25000000  0.87618100  0.09574900  1.0
  O  O26  1  0.56305500  0.60745600  0.21089000  1.0
  O  O27  1  0.75000000  0.49181900  0.97571900  1.0
  O  O28  1  0.75000000  0.79644900  0.37037800  1.0
  O  O29  1  0.46271600  0.21336700  0.10306000  1.0
  O  O30  1  0.93797900  0.24602500  0.40919100  1.0
  O  O31  1  0.43797900  0.75397500  0.59080900  1.0
  O  O32  1  0.43694500  0.39254400  0.78911000  1.0
  O  O33  1  0.25000000  0.37420600  0.25391900  1.0
  O  O34  1  0.75000000  0.91018000  0.12690800  1.0
  O  O35  1  0.25000000  0.08982000  0.87309200  1.0
  O  O36  1  0.93694500  0.60745600  0.21089000  1.0
  O  O37  1  0.96271600  0.78663300  0.89694000  1.0
  O  O38  1  0.06202100  0.75397500  0.59080900  1.0
  O  O39  1  0.25000000  0.50818100  0.02428100  1.0