data_[Lu8I24O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [27.9327]
_cell_length_b [5.6936]
_cell_length_c [11.9895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LuI3O10]
_chemical_formula_sum '[Lu8 I24 O80]'
_cell_volume [1881.0142]
_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  0.0862  0.2063  0.9290  1
  I  I1  8  0.0912  0.2993  0.2353  1
  I  I2  8  0.1667  0.2603  0.5585  1
  I  I3  8  0.2142  0.1926  0.8472  1
  O  O4  8  0.0003  0.1953  0.9071  1
  O  O5  8  0.0580  0.0718  0.3010  1
  O  O6  8  0.0592  0.3161  0.0880  1
  O  O7  8  0.0622  0.4403  0.7826  1
  O  O8  8  0.1152  0.0590  0.5625  1
  O  O9  8  0.1359  0.4735  0.4531  1
  O  O10  8  0.1566  0.0637  0.8787  1
  O  O11  8  0.1604  0.4308  0.6860  1
  O  O12  8  0.2179  0.0188  0.7191  1
  O  O13  8  0.2442  0.4830  0.0512  1
]