data_[Sr2Ir2C4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6724]
_cell_length_b [4.9306]
_cell_length_c [7.3683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrIr(CO4)2]
_chemical_formula_sum '[Sr2 Ir2 C4 O16]'
_cell_volume [277.8719]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.5000  1
  Ir  Ir1  2  0.0000  0.0000  0.0000  1
  C  C2  4  0.1366  0.5000  0.7961  1
  O  O3  8  0.0220  0.2684  0.8057  1
  O  O4  4  0.2010  0.5000  0.6363  1
  O  O5  4  0.2484  0.5000  0.9564  1
]