data_[Nd18Te3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2322]
_cell_length_b [10.2322]
_cell_length_c [9.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd6TeO12]
_chemical_formula_sum '[Nd18 Te3 O36]'
_cell_volume [887.7518]
_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  18  0.0446  0.7900  0.6450  1.0
  Te  Te1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0357  0.8096  0.4036  1.0
  O  O3  18  0.0411  0.8604  0.8915  1.0
]