# generated using pymatgen
data_MgCu4H6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52220526
_cell_length_b   6.79338236
_cell_length_c   6.52462137
_cell_angle_alpha   65.67701949
_cell_angle_beta   58.30047183
_cell_angle_gamma   65.73011323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu4H6(ClO3)2
_chemical_formula_sum   'Mg1 Cu4 H6 Cl2 O6'
_cell_volume   216.95590862
_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
  Mg  Mg0  1  -0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  -0.00000000  0.50000000  0.50000000  1.0
  H  H5  1  0.77391075  0.72648437  0.23947552  1.0
  H  H6  1  0.72470661  0.21933090  0.72644897  1.0
  H  H7  1  0.23854765  0.72625337  0.77487983  1.0
  H  H8  1  0.22608925  0.27351563  0.76052448  1.0
  H  H9  1  0.27529339  0.78066910  0.27355103  1.0
  H  H10  1  0.76145235  0.27374663  0.22512017  1.0
  Cl  Cl11  1  0.82386935  0.85838786  0.82453392  1.0
  Cl  Cl12  1  0.17613065  0.14161214  0.17546608  1.0
  O  O13  1  0.32690911  0.77606202  0.82268643  1.0
  O  O14  1  0.82233465  0.77621127  0.32739916  1.0
  O  O15  1  0.68330892  0.38542082  0.68408051  1.0
  O  O16  1  0.67309089  0.22393798  0.17731357  1.0
  O  O17  1  0.17766535  0.22378873  0.67260084  1.0
  O  O18  1  0.31669108  0.61457918  0.31591949  1.0