data_[Y1Tl2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0400]
_cell_length_b [6.7325]
_cell_length_c [5.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YTl2IrO8]
_chemical_formula_sum '[Y1 Tl2 Ir1 O8]'
_cell_volume [172.8145]
_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
[
  Y  Y0  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.5000  0.2485  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1908  0.2115  0.8347  1.0
  O  O4  2  0.2586  0.0000  0.2875  1.0
  O  O5  2  0.2902  0.5000  0.3207  1.0
]