data_[Lu8I4Cl4O8]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9565]
_cell_length_b [3.9435]
_cell_length_c [7.3740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2IClO2]
_chemical_formula_sum '[Lu8 I4 Cl4 O8]'
_cell_volume [550.0788]
_cell_formula_units_Z [4]
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  0.1926  0.5000  0.1135  1
  Lu  Lu1  4  0.1957  0.5000  0.6182  1
  I  I2  4  0.0924  0.0000  0.3498  1
  Cl  Cl3  4  0.0938  0.5000  0.8448  1
  O  O4  4  0.2423  0.0000  0.1191  1
  O  O5  4  0.2448  0.0000  0.6283  1
]