data_[Nd2Tl1Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [P-1]
_cell_length_a [4.7897]
_cell_length_b [4.9002]
_cell_length_c [7.5001]
_cell_angle_alpha [92.2591]
_cell_angle_beta [92.3410]
_cell_angle_gamma [94.2654]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2TlIrO8]
_chemical_formula_sum '[Nd2 Tl1 Ir1 O8]'
_cell_volume [175.2366]
_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
[
  Nd  Nd0  2  0.4350  0.4463  0.2399  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1249  0.7538  0.8134  1
  O  O4  2  0.2341  0.8756  0.1945  1
  O  O5  2  0.2864  0.2681  0.9503  1
  O  O6  2  0.3039  0.3043  0.5232  1
]