# generated using pymatgen
data_LiCuHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82369900
_cell_length_b   4.41720900
_cell_length_c   7.79069465
_cell_angle_alpha   79.21260489
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuHSO5
_chemical_formula_sum   'Li2 Cu2 H2 S2 O10'
_cell_volume   196.87010532
_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  1  0.75000000  0.96797800  0.65186200  1
  Li  Li1  1  0.25000000  0.03202200  0.34813800  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.00000000  0.00000000  1
  H  H4  1  0.75000000  0.40963800  0.85098700  1
  H  H5  1  0.25000000  0.59036200  0.14901300  1
  S  S6  1  0.25000000  0.55349500  0.72916200  1
  S  S7  1  0.75000000  0.44650500  0.27083800  1
  O  O8  1  0.25000000  0.31169600  0.90436100  1
  O  O9  1  0.75000000  0.18650800  0.85732600  1
  O  O10  1  0.04016700  0.73996200  0.73958200  1
  O  O11  1  0.45983300  0.73996200  0.73958200  1
  O  O12  1  0.25000000  0.40315300  0.57860200  1
  O  O13  1  0.75000000  0.59684700  0.42139800  1
  O  O14  1  0.54016700  0.26003800  0.26041800  1
  O  O15  1  0.95983300  0.26003800  0.26041800  1
  O  O16  1  0.25000000  0.81349200  0.14267400  1
  O  O17  1  0.75000000  0.68830400  0.09563900  1
