data_[Tm16Ir16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.1625]
_cell_length_b [10.1625]
_cell_length_c [10.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Tm2Ir2O7]
_chemical_formula_sum '[Tm16 Ir16 O56]'
_cell_volume [1049.5403]
_cell_formula_units_Z [8]
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
[
  Tm  Tm0  16  0.1250  0.1250  0.1250  1
  Ir  Ir1  16  0.1250  0.1250  0.6250  1
  O  O2  48  0.0000  0.0000  0.2851  1
  O  O3  8  0.0000  0.0000  0.0000  1
]