data_[Ho1Tl2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [5.0383]
_cell_length_b [6.7009]
_cell_length_c [5.0853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoTl2IrO8]
_chemical_formula_sum '[Ho1 Tl2 Ir1 O8]'
_cell_volume [171.6457]
_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
[
  Ho  Ho0  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.5000  0.2493  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1884  0.2134  0.8326  1.0
  O  O4  2  0.2608  0.0000  0.2843  1.0
  O  O5  2  0.2922  0.5000  0.3162  1.0
]