# generated using pymatgen
data_LiReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99020700
_cell_length_b   6.16825500
_cell_length_c   6.85841706
_cell_angle_alpha   78.04995932
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReO5
_chemical_formula_sum   'Li4 Re4 O20'
_cell_volume   454.85900422
_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  0.31438300  0.23413900  0.87876700  1
  Li  Li1  1  0.81438300  0.26586100  0.12123300  1
  Li  Li2  1  0.68561700  0.76586100  0.12123300  1
  Li  Li3  1  0.18561700  0.73413900  0.87876700  1
  Re  Re4  1  0.39459200  0.49292400  0.24009500  1
  Re  Re5  1  0.89459200  0.00707600  0.75990500  1
  Re  Re6  1  0.60540800  0.50707600  0.75990500  1
  Re  Re7  1  0.10540800  0.99292400  0.24009500  1
  O  O8  1  0.29892900  0.96806000  0.71872300  1
  O  O9  1  0.79892900  0.53194000  0.28127700  1
  O  O10  1  0.70107100  0.03194000  0.28127700  1
  O  O11  1  0.20107100  0.46806000  0.71872300  1
  O  O12  1  0.28168000  0.49267000  0.05153700  1
  O  O13  1  0.78168000  0.00733000  0.94846300  1
  O  O14  1  0.71832000  0.50733000  0.94846300  1
  O  O15  1  0.21832000  0.99267000  0.05153700  1
  O  O16  1  0.32948200  0.58593800  0.44076600  1
  O  O17  1  0.82948200  0.91406200  0.55923400  1
  O  O18  1  0.67051800  0.41406200  0.55923400  1
  O  O19  1  0.17051800  0.08593800  0.44076600  1
  O  O20  1  0.48546600  0.32624100  0.85430200  1
  O  O21  1  0.98546600  0.17375900  0.14569800  1
  O  O22  1  0.51453400  0.67375900  0.14569800  1
  O  O23  1  0.01453400  0.82624100  0.85430200  1
  O  O24  1  0.45164900  0.22785900  0.31907600  1
  O  O25  1  0.95164900  0.27214100  0.68092400  1
  O  O26  1  0.54835100  0.77214100  0.68092400  1
  O  O27  1  0.04835100  0.72785900  0.31907600  1
