# generated using pymatgen
data_Sr2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63311031
_cell_length_b   5.63311173
_cell_length_c   15.91580800
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99999491
_cell_angle_gamma   89.99989931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiIrO6
_chemical_formula_sum   'Sr8 Ni4 Ir4 O24'
_cell_volume   505.03946039
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.00000000  0.50000000  0.62500000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.87499900  1.0
  Sr  Sr2  1  0.00000000  0.50000000  0.12500000  1.0
  Sr  Sr3  1  0.50000000  0.00000000  0.37500200  1.0
  Sr  Sr4  1  0.00000000  0.50000000  0.87499900  1.0
  Sr  Sr5  1  0.50000000  0.00000000  0.12500000  1.0
  Sr  Sr6  1  0.00000000  0.50000000  0.37500200  1.0
  Sr  Sr7  1  0.50000000  0.00000000  0.62500100  1.0
  Ni  Ni8  1  0.00000100  0.00000000  0.50119300  1.0
  Ni  Ni9  1  0.50000000  0.50000000  0.74880300  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.00117400  1.0
  Ni  Ni11  1  0.50000000  0.50000100  0.24882600  1.0
  Ir  Ir12  1  0.00000000  0.00000000  0.75088900  1.0
  Ir  Ir13  1  0.50000000  0.50000000  0.99911300  1.0
  Ir  Ir14  1  0.00000000  0.00000000  0.25088700  1.0
  Ir  Ir15  1  0.50000000  0.50000000  0.49911200  1.0
  O  O16  1  0.00000000  0.00000000  0.62837200  1.0
  O  O17  1  0.50000000  0.50000000  0.87742100  1.0
  O  O18  1  0.00000000  0.00000000  0.12836400  1.0
  O  O19  1  0.50000000  0.50000000  0.37744400  1.0
  O  O20  1  0.24401100  0.24401100  0.75037000  1.0
  O  O21  1  0.74400900  0.74400900  0.99961300  1.0
  O  O22  1  0.24400900  0.24400900  0.25038700  1.0
  O  O23  1  0.74401200  0.74401200  0.49963000  1.0
  O  O24  1  0.75598900  0.24401100  0.75037000  1.0
  O  O25  1  0.25599100  0.74400900  0.99961300  1.0
  O  O26  1  0.75599100  0.24400900  0.25038700  1.0
  O  O27  1  0.25598800  0.74401200  0.49963000  1.0
  O  O28  1  0.00000000  0.00000000  0.87255600  1.0
  O  O29  1  0.50000000  0.50000000  0.12163600  1.0
  O  O30  1  0.00000000  0.00000000  0.37257900  1.0
  O  O31  1  0.50000000  0.50000000  0.62162800  1.0
  O  O32  1  0.75598900  0.75598900  0.75037000  1.0
  O  O33  1  0.25599100  0.25599100  0.99961300  1.0
  O  O34  1  0.75599100  0.75599100  0.25038700  1.0
  O  O35  1  0.25598800  0.25598800  0.49963000  1.0
  O  O36  1  0.24401100  0.75598900  0.75037000  1.0
  O  O37  1  0.74400900  0.25599100  0.99961300  1.0
  O  O38  1  0.24400900  0.75599100  0.25038700  1.0
  O  O39  1  0.74401200  0.25598800  0.49963000  1.0