# generated using pymatgen
data_Li2Se2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21591600
_cell_length_b   8.67153700
_cell_length_c   14.14958300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Se2O7
_chemical_formula_sum   'Li8 Se8 O28'
_cell_volume   639.98576053
_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
  Li  Li0  1  0.40883200  0.43314100  0.10155600  1
  Li  Li1  1  0.09116800  0.06685900  0.60155600  1
  Li  Li2  1  0.59116800  0.93314100  0.89844400  1
  Li  Li3  1  0.90883200  0.56685900  0.39844400  1
  Li  Li4  1  0.59116800  0.56685900  0.89844400  1
  Li  Li5  1  0.90883200  0.93314100  0.39844400  1
  Li  Li6  1  0.40883200  0.06685900  0.10155600  1
  Li  Li7  1  0.09116800  0.43314100  0.60155600  1
  Se  Se8  1  0.23737900  0.75000000  0.21859500  1
  Se  Se9  1  0.26262100  0.75000000  0.71859500  1
  Se  Se10  1  0.76262100  0.25000000  0.78140500  1
  Se  Se11  1  0.73737900  0.25000000  0.28140500  1
  Se  Se12  1  0.39004800  0.75000000  0.50300400  1
  Se  Se13  1  0.10995200  0.75000000  0.00300400  1
  Se  Se14  1  0.60995200  0.25000000  0.49699600  1
  Se  Se15  1  0.89004800  0.25000000  0.99699600  1
  O  O16  1  0.39922200  0.59015100  0.20477700  1
  O  O17  1  0.10077800  0.90984900  0.70477700  1
  O  O18  1  0.60077800  0.09015100  0.79522300  1
  O  O19  1  0.89922200  0.40984900  0.29522300  1
  O  O20  1  0.60077800  0.40984900  0.79522300  1
  O  O21  1  0.89922200  0.09015100  0.29522300  1
  O  O22  1  0.39922200  0.90984900  0.20477700  1
  O  O23  1  0.10077800  0.59015100  0.70477700  1
  O  O24  1  0.04888400  0.75000000  0.31234700  1
  O  O25  1  0.45111600  0.75000000  0.81234700  1
  O  O26  1  0.95111600  0.25000000  0.68765300  1
  O  O27  1  0.54888400  0.25000000  0.18765300  1
  O  O28  1  0.21927200  0.59043100  0.49198800  1
  O  O29  1  0.28072800  0.90956900  0.99198800  1
  O  O30  1  0.78072800  0.09043100  0.50801200  1
  O  O31  1  0.71927200  0.40956900  0.00801200  1
  O  O32  1  0.78072800  0.40956900  0.50801200  1
  O  O33  1  0.71927200  0.09043100  0.00801200  1
  O  O34  1  0.21927200  0.90956900  0.49198800  1
  O  O35  1  0.28072800  0.59043100  0.99198800  1
  O  O36  1  0.65856200  0.75000000  0.44175100  1
  O  O37  1  0.84143800  0.75000000  0.94175100  1
  O  O38  1  0.34143800  0.25000000  0.55824900  1
  O  O39  1  0.15856200  0.25000000  0.05824900  1
  O  O40  1  0.99068000  0.75000000  0.12287200  1
  O  O41  1  0.50932000  0.75000000  0.62287200  1
  O  O42  1  0.00932000  0.25000000  0.87712800  1
  O  O43  1  0.49068000  0.25000000  0.37712800  1
