data_[Te2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0139]
_cell_length_b [5.2402]
_cell_length_c [8.8651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeIrO6]
_chemical_formula_sum '[Te2 Ir2 O12]'
_cell_volume [191.8641]
_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
[
  Te  Te0  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir1  2  0.5000  0.0000  0.0000  1.0
  O  O2  4  0.1080  0.6773  0.4308  1.0
  O  O3  4  0.2643  0.1811  0.4327  1.0
  O  O4  4  0.3891  0.5375  0.2542  1.0
]