# generated using pymatgen
data_Mg2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32233700
_cell_length_b   5.10961200
_cell_length_c   9.10403426
_cell_angle_alpha   55.90461786
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiIrO6
_chemical_formula_sum   'Mg4 Ni2 Ir2 O12'
_cell_volume   205.02643223
_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  0.93582400  0.23551100  0.75146500  1.0
  Mg  Mg1  1  0.43582400  0.76448900  0.74853500  1.0
  Mg  Mg2  1  0.56417600  0.23551100  0.25146500  1.0
  Mg  Mg3  1  0.06417600  0.76448900  0.24853500  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir6  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir7  1  0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.43170900  0.60442500  0.25829300  1.0
  O  O9  1  0.18108300  0.88214800  0.92985200  1.0
  O  O10  1  0.19133800  0.25213100  0.57545500  1.0
  O  O11  1  0.69133800  0.74786900  0.92454500  1.0
  O  O12  1  0.68108300  0.11785200  0.57014800  1.0
  O  O13  1  0.93170900  0.39557500  0.24170700  1.0
  O  O14  1  0.06829100  0.60442500  0.75829300  1.0
  O  O15  1  0.31891700  0.88214800  0.42985200  1.0
  O  O16  1  0.30866200  0.25213100  0.07545500  1.0
  O  O17  1  0.81891700  0.11785200  0.07014800  1.0
  O  O18  1  0.80866200  0.74786900  0.42454500  1.0
  O  O19  1  0.56829100  0.39557500  0.74170700  1.0