data_[Li2Cu2H2S2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4172]
_cell_length_b [5.8237]
_cell_length_c [7.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuHSO5]
_chemical_formula_sum '[Li2 Cu2 H2 S2 O10]'
_cell_volume [196.8701]
_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
[
  Li  Li0  2  0.0320  0.7500  0.6519  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4096  0.2500  0.1490  1.0
  S  S3  2  0.4465  0.2500  0.7292  1.0
  O  O4  4  0.2600  0.0402  0.7396  1.0
  O  O5  2  0.1865  0.2500  0.1427  1.0
  O  O6  2  0.3117  0.7500  0.0956  1.0
  O  O7  2  0.4032  0.7500  0.4214  1.0
]