# generated using pymatgen
data_Cu2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93728289
_cell_length_b   6.99396615
_cell_length_c   10.74560660
_cell_angle_alpha   51.83469364
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SeO4
_chemical_formula_sum   'Cu8 Se4 O16'
_cell_volume   350.82657388
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.29589843  0.50823167  0.24107872  1.0
  Cu  Cu1  1  0.79589843  0.49176833  0.25892128  1.0
  Cu  Cu2  1  0.70410157  0.49176833  0.75892128  1.0
  Cu  Cu3  1  0.50000000  -0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  -0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu7  1  0.20410157  0.50823167  0.74107872  1.0
  Se  Se8  1  0.07470642  0.16579900  0.59911622  1.0
  Se  Se9  1  0.92529358  0.83420100  0.40088378  1.0
  Se  Se10  1  0.57470642  0.83420100  0.90088378  1.0
  Se  Se11  1  0.42529358  0.16579900  0.09911622  1.0
  O  O12  1  0.28722196  0.95203107  0.09943518  1.0
  O  O13  1  0.71277804  0.04796893  0.90056482  1.0
  O  O14  1  0.06193626  0.41338013  0.39864056  1.0
  O  O15  1  0.46851555  0.65438544  0.59861863  1.0
  O  O16  1  0.21541393  0.26197446  0.15783271  1.0
  O  O17  1  0.71541393  0.73802554  0.34216729  1.0
  O  O18  1  0.03148445  0.65438544  0.09861863  1.0
  O  O19  1  0.21277804  0.95203107  0.59943518  1.0
  O  O20  1  0.93806374  0.58661987  0.60135944  1.0
  O  O21  1  0.96851555  0.34561456  0.90138137  1.0
  O  O22  1  0.78722196  0.04796893  0.40056482  1.0
  O  O23  1  0.28458607  0.26197446  0.65783271  1.0
  O  O24  1  0.56193626  0.58661987  0.10135944  1.0
  O  O25  1  0.78458607  0.73802554  0.84216729  1.0
  O  O26  1  0.43806374  0.41338013  0.89864056  1.0
  O  O27  1  0.53148445  0.34561456  0.40138137  1.0