data_[Lu2H4Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2423]
_cell_length_b [3.4995]
_cell_length_c [6.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuH2ClO2]
_chemical_formula_sum '[Lu2 H4 Cl2 O4]'
_cell_volume [140.0632]
_cell_formula_units_Z [2]
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  2  0.2753  0.2500  0.1000  1.0
  H  H1  2  0.1250  0.7500  0.7636  1.0
  H  H2  2  0.3822  0.2500  0.6953  1.0
  Cl  Cl3  2  0.2247  0.7500  0.4177  1.0
  O  O4  2  0.1058  0.7500  0.9067  1.0
  O  O5  2  0.4622  0.2500  0.8423  1.0
]