# generated using pymatgen
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90746657
_cell_length_b   5.90746657
_cell_length_c   14.45571369
_cell_angle_alpha   88.73264679
_cell_angle_beta   88.73264679
_cell_angle_gamma   59.30920945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(NiO2)2
_chemical_formula_sum   'Mg6 Ni12 O24'
_cell_volume   433.67727087
_cell_formula_units_Z   6
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  0.33321300  0.33321300  0.04969200  1.0
  Mg  Mg1  1  0.99824300  0.99824300  0.38230700  1.0
  Mg  Mg2  1  0.66514300  0.66514300  0.33354300  1.0
  Mg  Mg3  1  0.66965700  0.66965700  0.71218200  1.0
  Mg  Mg4  1  0.00082100  0.00082100  0.00016000  1.0
  Mg  Mg5  1  0.99928400  0.99928400  0.62326800  1.0
  Ni  Ni6  1  0.33041500  0.83389100  0.16598900  1.0
  Ni  Ni7  1  0.83389100  0.33041500  0.16598900  1.0
  Ni  Ni8  1  0.99776300  0.49696700  0.50028100  1.0
  Ni  Ni9  1  0.83479500  0.83479500  0.16623200  1.0
  Ni  Ni10  1  0.49696700  0.99776300  0.50028100  1.0
  Ni  Ni11  1  0.33480500  0.33480500  0.66498600  1.0
  Ni  Ni12  1  0.33218500  0.33218500  0.28307500  1.0
  Ni  Ni13  1  0.66331300  0.17062800  0.83332500  1.0
  Ni  Ni14  1  0.49936400  0.49936400  0.50117600  1.0
  Ni  Ni15  1  0.17062800  0.66331300  0.83332500  1.0
  Ni  Ni16  1  0.16973300  0.16973300  0.83320300  1.0
  Ni  Ni17  1  0.66632400  0.66632400  0.95406700  1.0
  O  O18  1  0.69943600  0.15347900  0.09516200  1.0
  O  O19  1  0.99905300  0.99905300  0.24574400  1.0
  O  O20  1  0.15347900  0.69943600  0.09516200  1.0
  O  O21  1  0.14960700  0.14960700  0.09399000  1.0
  O  O22  1  0.36059600  0.81191300  0.42779500  1.0
  O  O23  1  0.51418300  0.51418300  0.23826600  1.0
  O  O24  1  0.66473300  0.66473300  0.57522100  1.0
  O  O25  1  0.51168900  0.97005300  0.23664700  1.0
  O  O26  1  0.66775600  0.66775600  0.08309300  1.0
  O  O27  1  0.81191300  0.36059600  0.42779500  1.0
  O  O28  1  0.81647500  0.81647500  0.42924000  1.0
  O  O29  1  0.97005300  0.51168900  0.23664700  1.0
  O  O30  1  0.04196000  0.48243700  0.74874600  1.0
  O  O31  1  0.18201500  0.18201500  0.57271100  1.0
  O  O32  1  0.18616900  0.62736300  0.57859000  1.0
  O  O33  1  0.33167400  0.33167400  0.90899800  1.0
  O  O34  1  0.33343200  0.33343200  0.42412200  1.0
  O  O35  1  0.48243700  0.04196000  0.74874600  1.0
  O  O36  1  0.48577400  0.48577400  0.75551400  1.0
  O  O37  1  0.62736300  0.18616900  0.57859000  1.0
  O  O38  1  0.84219700  0.84219700  0.90960300  1.0
  O  O39  1  0.84056700  0.32228600  0.91142700  1.0
  O  O40  1  0.00303000  0.00303000  0.76138800  1.0
  O  O41  1  0.32228600  0.84056700  0.91142700  1.0