data_[Lu18Te3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [9.6393]
_cell_length_b [9.6393]
_cell_length_c [9.1568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Lu6TeO12]
_chemical_formula_sum '[Lu18 Te3 O36]'
_cell_volume [736.8244]
_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
[
  Lu  Lu0  18  0.0386  0.2515  0.6421  1.0
  Te  Te1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0299  0.2218  0.3992  1.0
  O  O3  18  0.0369  0.1882  0.8863  1.0
]