data_[Nd2Tl1Ru1O8]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7072]
_cell_length_b [4.9274]
_cell_length_c [7.5040]
_cell_angle_alpha [92.3424]
_cell_angle_beta [92.5899]
_cell_angle_gamma [94.2748]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2TlRuO8]
_chemical_formula_sum '[Nd2 Tl1 Ru1 O8]'
_cell_volume [173.2157]
_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  0.4246  0.4498  0.2390  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1260  0.7443  0.8194  1.0
  O  O4  2  0.2329  0.8814  0.1993  1.0
  O  O5  2  0.2907  0.2574  0.9489  1.0
  O  O6  2  0.3031  0.3072  0.5235  1.0
]