data_[Lu8I8O8]
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/m]
_cell_length_a [21.2850]
_cell_length_b [3.9930]
_cell_length_c [7.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LuIO]
_chemical_formula_sum '[Lu8 I8 O8]'
_cell_volume [641.3402]
_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  4  0.2009  0.5000  0.1170  1.0
  Lu  Lu1  4  0.2022  0.5000  0.6153  1.0
  I  I2  4  0.0910  0.5000  0.8432  1.0
  I  I3  4  0.1113  0.0000  0.3492  1.0
  O  O4  4  0.2453  0.0000  0.6275  1.0
  O  O5  4  0.2461  0.0000  0.1210  1.0
]