data_[Sr2Mg1Ni1Ir1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6541]
_cell_length_b [5.6799]
_cell_length_c [5.6792]
_cell_angle_alpha [76.5020]
_cell_angle_beta [64.4170]
_cell_angle_gamma [63.1880]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2MgNiIrO6]
_chemical_formula_sum '[Sr2 Mg1 Ni1 Ir1 O6]'
_cell_volume [146.6502]
_cell_formula_units_Z [1]
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  0.3019  0.3200  0.0918  1
  Sr  Sr1  1  0.7416  0.6886  0.8188  1
  Mg  Mg2  1  0.1204  0.0573  0.6260  1
  Ni  Ni3  1  0.9601  0.9243  0.2150  1
  Ir  Ir4  1  0.5122  0.5067  0.4775  1
  O  O5  1  0.2244  0.3487  0.5990  1
  O  O6  1  0.2716  0.7298  0.8164  1
  O  O7  1  0.2944  0.8631  0.2901  1
  O  O8  1  0.7194  0.1807  0.6752  1
  O  O9  1  0.7448  0.2939  0.1531  1
  O  O10  1  0.8115  0.6585  0.3443  1
]