# generated using pymatgen
data_Li2Cu3(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06406600
_cell_length_b   10.94332944
_cell_length_c   11.79950721
_cell_angle_alpha   81.67281437
_cell_angle_beta   77.60864097
_cell_angle_gamma   76.62185429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cu3(Se2O7)2
_chemical_formula_sum   'Li4 Cu6 Se8 O28'
_cell_volume   618.21369380
_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  0.68760400  0.01588600  0.12440200  1
  Li  Li1  1  0.32789100  0.48411400  0.37559800  1
  Li  Li2  1  0.31239600  0.98411400  0.87559800  1
  Li  Li3  1  0.67210900  0.51588600  0.62440200  1
  Cu  Cu4  1  0.11452900  0.24406800  0.02955400  1
  Cu  Cu5  1  0.88815100  0.25593200  0.47044600  1
  Cu  Cu6  1  0.88547100  0.75593200  0.97044600  1
  Cu  Cu7  1  0.11184900  0.74406800  0.52955400  1
  Cu  Cu8  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu9  1  0.50000000  0.50000000  0.00000000  1
  Se  Se10  1  0.71222400  0.72808100  0.40284400  1
  Se  Se11  1  0.34314800  0.77191900  0.09715600  1
  Se  Se12  1  0.28777600  0.27191900  0.59715600  1
  Se  Se13  1  0.65685200  0.22808100  0.90284400  1
  Se  Se14  1  0.94421700  0.45863800  0.20706800  1
  Se  Se15  1  0.10992200  0.04136200  0.29293200  1
  Se  Se16  1  0.05578300  0.54136200  0.79293200  1
  Se  Se17  1  0.89007800  0.95863800  0.70706800  1
  O  O18  1  0.14382100  0.55116000  0.11458200  1
  O  O19  1  0.30956200  0.94884000  0.38541800  1
  O  O20  1  0.85617900  0.44884000  0.88541800  1
  O  O21  1  0.69043800  0.05116000  0.61458200  1
  O  O22  1  0.84943500  0.36022300  0.13157900  1
  O  O23  1  0.84123700  0.13977700  0.36842100  1
  O  O24  1  0.15056500  0.63977700  0.86842100  1
  O  O25  1  0.15876300  0.86022300  0.63157900  1
  O  O26  1  0.11456300  0.38200700  0.31083300  1
  O  O27  1  0.30740300  0.11799300  0.18916700  1
  O  O28  1  0.88543700  0.61799300  0.68916700  1
  O  O29  1  0.69259700  0.88200700  0.81083300  1
  O  O30  1  0.65097600  0.55135000  0.26579300  1
  O  O31  1  0.96812000  0.94865000  0.23420700  1
  O  O32  1  0.34902400  0.44865000  0.73420700  1
  O  O33  1  0.03188000  0.05135000  0.76579300  1
  O  O34  1  0.03536100  0.64047900  0.42032200  1
  O  O35  1  0.59616200  0.85952100  0.07967800  1
  O  O36  1  0.96463900  0.35952100  0.57967800  1
  O  O37  1  0.40383800  0.14047900  0.92032200  1
  O  O38  1  0.49901400  0.64900300  0.50785600  1
  O  O39  1  0.15587300  0.85099700  0.99214400  1
  O  O40  1  0.50098600  0.35099700  0.49214400  1
  O  O41  1  0.84412700  0.14900300  0.00785600  1
  O  O42  1  0.75680200  0.84144300  0.48965700  1
  O  O43  1  0.58790200  0.65855700  0.01034300  1
  O  O44  1  0.24319800  0.15855700  0.51034300  1
  O  O45  1  0.41209800  0.34144300  0.98965700  1
