# generated using pymatgen
data_Mg3Ni2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10295843
_cell_length_b   9.10295843
_cell_length_c   5.19731100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.33324366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ni2O7
_chemical_formula_sum   'Mg6 Ni4 O14'
_cell_volume   226.09182283
_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  0.22336600  0.22336600  0.32470300  1.0
  Mg  Mg1  1  0.77663400  0.77663400  0.82470300  1.0
  Mg  Mg2  1  0.05013000  0.43441800  0.17169300  1.0
  Mg  Mg3  1  0.94987000  0.56558200  0.67169300  1.0
  Mg  Mg4  1  0.43441800  0.05013000  0.17169300  1.0
  Mg  Mg5  1  0.56558200  0.94987000  0.67169300  1.0
  Ni  Ni6  1  0.84905200  0.64450500  0.25066700  1.0
  Ni  Ni7  1  0.15094800  0.35549500  0.75066700  1.0
  Ni  Ni8  1  0.35549500  0.15094800  0.75066700  1.0
  Ni  Ni9  1  0.64450500  0.84905200  0.25066700  1.0
  O  O10  1  0.65977700  0.06543300  0.29298400  1.0
  O  O11  1  0.34022300  0.93456700  0.79298400  1.0
  O  O12  1  0.93456700  0.34022300  0.79298400  1.0
  O  O13  1  0.06543300  0.65977700  0.29298400  1.0
  O  O14  1  0.41453800  0.68677700  0.95994700  1.0
  O  O15  1  0.58546200  0.31322300  0.45994700  1.0
  O  O16  1  0.31322300  0.58546200  0.45994700  1.0
  O  O17  1  0.68677700  0.41453800  0.95994700  1.0
  O  O18  1  0.98602600  0.13626600  0.05777300  1.0
  O  O19  1  0.01397400  0.86373400  0.55777300  1.0
  O  O20  1  0.61212600  0.61212600  0.18916800  1.0
  O  O21  1  0.38787400  0.38787400  0.68916800  1.0
  O  O22  1  0.13626600  0.98602600  0.05777300  1.0
  O  O23  1  0.86373400  0.01397400  0.55777300  1.0