# generated using pymatgen
data_Na2Cu4H5(SO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17354728
_cell_length_b   6.38860122
_cell_length_c   7.74511824
_cell_angle_alpha   87.74603295
_cell_angle_beta   63.30574013
_cell_angle_gamma   53.92803970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Cu4H5(SO5)4
_chemical_formula_sum   'Na2 Cu4 H5 S4 O20'
_cell_volume   379.33863577
_cell_formula_units_Z   1
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
  Na  Na0  1  0.00000000  0.50000000  0.50000000  1.0
  Na  Na1  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.25455600  0.99649600  0.99853400  1.0
  Cu  Cu3  1  0.25108200  0.49643500  0.99697400  1.0
  Cu  Cu4  1  0.74544400  0.00350400  0.00146600  1.0
  Cu  Cu5  1  0.74891800  0.50356500  0.00302600  1.0
  H  H6  1  0.20158800  0.30117300  0.80523800  1.0
  H  H7  1  0.28380100  0.70864700  0.21563800  1.0
  H  H8  1  0.50000000  0.50000000  0.00000000  1.0
  H  H9  1  0.71619900  0.29135300  0.78436200  1.0
  H  H10  1  0.79841200  0.69882700  0.19476200  1.0
  S  S11  1  0.40504100  0.08965400  0.30928200  1.0
  S  S12  1  0.09139200  0.91262000  0.69542200  1.0
  S  S13  1  0.90860800  0.08738000  0.30457800  1.0
  S  S14  1  0.59495900  0.91034600  0.69071800  1.0
  O  O15  1  0.02213200  0.16793000  0.24223100  1.0
  O  O16  1  0.02168300  0.78113700  0.25069500  1.0
  O  O17  1  0.30715800  0.19059500  0.20366500  1.0
  O  O18  1  0.28495000  0.21002400  0.52864900  1.0
  O  O19  1  0.16526300  0.33374800  0.95072000  1.0
  O  O20  1  0.34405100  0.65206500  0.06393700  1.0
  O  O21  1  0.21261200  0.79168500  0.47476700  1.0
  O  O22  1  0.51781900  0.17365900  0.24563300  1.0
  O  O23  1  0.19187900  0.80885800  0.79834500  1.0
  O  O24  1  0.48119300  0.21734400  0.74588200  1.0
  O  O25  1  0.51880700  0.78265600  0.25411800  1.0
  O  O26  1  0.80812100  0.19114200  0.20165500  1.0
  O  O27  1  0.48218100  0.82634100  0.75436700  1.0
  O  O28  1  0.78738800  0.20831500  0.52523300  1.0
  O  O29  1  0.65594900  0.34793400  0.93606300  1.0
  O  O30  1  0.83473700  0.66625200  0.04928000  1.0
  O  O31  1  0.71505000  0.78997600  0.47135100  1.0
  O  O32  1  0.69284200  0.80940500  0.79633500  1.0
  O  O33  1  0.97831700  0.21886300  0.74930500  1.0
  O  O34  1  0.97786800  0.83207000  0.75776900  1.0