data_[Nd3Er3Tl6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8815]
_cell_length_b [5.8815]
_cell_length_c [15.4717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdErTl2O6]
_chemical_formula_sum '[Nd3 Er3 Tl6 O18]'
_cell_volume [463.4941]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8050  1.0
  Er  Er1  3  0.0000  0.0000  0.3116  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0253  1.0
  Tl  Tl3  3  0.0000  0.0000  0.5292  1.0
  O  O4  9  0.0055  0.3036  0.9166  1.0
  O  O5  9  0.0530  0.6777  0.0802  1.0
]