# generated using pymatgen
data_LiReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89994202
_cell_length_b   8.39112446
_cell_length_c   9.64522559
_cell_angle_alpha   96.82111041
_cell_angle_beta   106.94212001
_cell_angle_gamma   101.49917606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReO4
_chemical_formula_sum   'Li6 Re6 O24'
_cell_volume   514.08065347
_cell_formula_units_Z   6
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  0.53389670  0.61707305  0.78447900  1
  Li  Li1  1  0.46610330  0.38292695  0.21552100  1
  Li  Li2  1  0.03861432  0.19166850  0.99193753  1
  Li  Li3  1  0.96138568  0.80833150  0.00806247  1
  Li  Li4  1  0.24925897  0.80159700  0.58948073  1
  Li  Li5  1  0.75074103  0.19840300  0.41051927  1
  Re  Re6  1  0.79788607  0.90354105  0.65871127  1
  Re  Re7  1  0.20211393  0.09645895  0.34128873  1
  Re  Re8  1  0.99486121  0.50702651  0.74380241  1
  Re  Re9  1  0.00513879  0.49297349  0.25619759  1
  Re  Re10  1  0.47738753  0.20530789  0.87796104  1
  Re  Re11  1  0.52261247  0.79469211  0.12203896  1
  O  O12  1  0.93277158  0.79592439  0.57023440  1
  O  O13  1  0.06722842  0.20407561  0.42976560  1
  O  O14  1  0.14322479  0.37004545  0.18229575  1
  O  O15  1  0.85677521  0.62995455  0.81770425  1
  O  O16  1  0.73281918  0.19435261  0.95835290  1
  O  O17  1  0.26718082  0.80564739  0.04164710  1
  O  O18  1  0.95410178  0.64168056  0.15010360  1
  O  O19  1  0.04589822  0.35831944  0.84989640  1
  O  O20  1  0.24995448  0.93120846  0.42544653  1
  O  O21  1  0.75004552  0.06879154  0.57455347  1
  O  O22  1  0.76813718  0.37210650  0.25736896  1
  O  O23  1  0.23186282  0.62789350  0.74263104  1
  O  O24  1  0.94674096  0.97855106  0.84400867  1
  O  O25  1  0.05325904  0.02144894  0.15599133  1
  O  O26  1  0.51942733  0.62216182  0.20631591  1
  O  O27  1  0.48057267  0.37783818  0.79368409  1
  O  O28  1  0.65745847  0.97326870  0.25263156  1
  O  O29  1  0.34254153  0.02673130  0.74736844  1
  O  O30  1  0.15743305  0.59061743  0.43319513  1
  O  O31  1  0.84256695  0.40938257  0.56680487  1
  O  O32  1  0.36290223  0.22526493  0.01723113  1
  O  O33  1  0.63709777  0.77473507  0.98276887  1
  O  O34  1  0.55653833  0.77540529  0.64496947  1
  O  O35  1  0.44346167  0.22459471  0.35503053  1
