# generated using pymatgen
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83532173
_cell_length_b   5.83532173
_cell_length_c   19.44126559
_cell_angle_alpha   80.40051171
_cell_angle_beta   80.40051171
_cell_angle_gamma   60.45523850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(NiO2)2
_chemical_formula_sum   'Mg8 Ni16 O32'
_cell_volume   565.08737174
_cell_formula_units_Z   8
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  0.64766700  0.64766700  0.02705300  1.0
  Mg  Mg1  1  0.12536000  0.12536000  0.12519900  1.0
  Mg  Mg2  1  0.89542600  0.89542600  0.28211600  1.0
  Mg  Mg3  1  0.37357900  0.37357900  0.37506900  1.0
  Mg  Mg4  1  0.62503900  0.62503900  0.62531100  1.0
  Mg  Mg5  1  0.50044800  0.50044800  0.49915800  1.0
  Mg  Mg6  1  0.87703400  0.87703400  0.87488500  1.0
  Mg  Mg7  1  0.74832800  0.74832800  0.75007100  1.0
  Ni  Ni8  1  0.62755100  0.12365900  0.12482600  1.0
  Ni  Ni9  1  0.25019500  0.25019500  0.25058600  1.0
  Ni  Ni10  1  0.12365900  0.62755100  0.12482600  1.0
  Ni  Ni11  1  0.14963900  0.14963900  0.53448400  1.0
  Ni  Ni12  1  0.87631900  0.36982700  0.37448100  1.0
  Ni  Ni13  1  0.60122600  0.60122600  0.21971000  1.0
  Ni  Ni14  1  0.39875300  0.39875300  0.78166300  1.0
  Ni  Ni15  1  0.36982700  0.87631900  0.37448100  1.0
  Ni  Ni16  1  0.12343500  0.62582000  0.62548300  1.0
  Ni  Ni17  1  0.84940600  0.84940600  0.46710000  1.0
  Ni  Ni18  1  0.62582000  0.12343500  0.62548300  1.0
  Ni  Ni19  1  0.87875600  0.37395900  0.87467200  1.0
  Ni  Ni20  1  0.37395900  0.87875600  0.87467200  1.0
  Ni  Ni21  1  0.10203700  0.10203700  0.71605300  1.0
  Ni  Ni22  1  0.99886700  0.99886700  0.00174600  1.0
  Ni  Ni23  1  0.35255400  0.35255400  0.96915500  1.0
  O  O24  1  0.26816500  0.82342300  0.06296300  1.0
  O  O25  1  0.93113100  0.93113100  0.17760000  1.0
  O  O26  1  0.82342300  0.26816500  0.06296300  1.0
  O  O27  1  0.82309200  0.82309200  0.06010600  1.0
  O  O28  1  0.43719800  0.43719800  0.18567600  1.0
  O  O29  1  0.51597300  0.07070300  0.31427100  1.0
  O  O30  1  0.43303500  0.97482400  0.18682400  1.0
  O  O31  1  0.18090400  0.18090400  0.43491800  1.0
  O  O32  1  0.07070300  0.51597300  0.31427100  1.0
  O  O33  1  0.31969600  0.31969600  0.07287500  1.0
  O  O34  1  0.06825600  0.06825600  0.31803700  1.0
  O  O35  1  0.97482400  0.43303500  0.18682400  1.0
  O  O36  1  0.78788200  0.30996900  0.56680000  1.0
  O  O37  1  0.68545400  0.68545400  0.42937400  1.0
  O  O38  1  0.68824400  0.21434300  0.43156600  1.0
  O  O39  1  0.43266300  0.43266300  0.68287900  1.0
  O  O40  1  0.30996900  0.78788200  0.56680000  1.0
  O  O41  1  0.56815300  0.56815300  0.31877200  1.0
  O  O42  1  0.31481300  0.31481300  0.56735300  1.0
  O  O43  1  0.21434300  0.68824400  0.43156600  1.0
  O  O44  1  0.93119000  0.93119000  0.68087700  1.0
  O  O45  1  0.04339600  0.56209200  0.81671800  1.0
  O  O46  1  0.93892500  0.46747400  0.68261300  1.0
  O  O47  1  0.68201200  0.68201200  0.92446500  1.0
  O  O48  1  0.56209200  0.04339600  0.81671800  1.0
  O  O49  1  0.82006400  0.82006400  0.56716100  1.0
  O  O50  1  0.55794500  0.55794500  0.81339900  1.0
  O  O51  1  0.46747400  0.93892500  0.68261300  1.0
  O  O52  1  0.17088700  0.17088700  0.94469600  1.0
  O  O53  1  0.17879400  0.73264200  0.93904000  1.0
  O  O54  1  0.07172100  0.07172100  0.82193200  1.0
  O  O55  1  0.73264200  0.17879400  0.93904000  1.0