data_[Lu16Te8O48]
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 [C2/c]
_cell_length_a [16.0398]
_cell_length_b [10.9553]
_cell_length_c [5.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2TeO6]
_chemical_formula_sum '[Lu16 Te8 O48]'
_cell_volume [892.4864]
_cell_formula_units_Z [8]
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  8  0.1719  0.1109  0.8853  1
  Lu  Lu1  4  0.0000  0.1025  0.2500  1
  Lu  Lu2  4  0.0000  0.3754  0.7500  1
  Te  Te3  8  0.1533  0.3484  0.4331  1
  O  O4  8  0.0756  0.4660  0.4894  1
  O  O5  8  0.0786  0.2337  0.5735  1
  O  O6  8  0.0906  0.0155  0.0773  1
  O  O7  8  0.0988  0.2780  0.0994  1
  O  O8  8  0.2368  0.4516  0.3498  1
  O  O9  8  0.2372  0.2923  0.7448  1
]