# generated using pymatgen
data_CuReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78284900
_cell_length_b   4.93880617
_cell_length_c   5.87079727
_cell_angle_alpha   90.07757622
_cell_angle_beta   94.61580650
_cell_angle_gamma   92.18327112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReO4
_chemical_formula_sum   'Cu2 Re2 O8'
_cell_volume   138.12594233
_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
  Cu  Cu0  1  0.50803300  0.75193500  0.66640500  1.0
  Cu  Cu1  1  0.49196700  0.24806500  0.33359500  1.0
  Re  Re2  1  0.01586300  0.25326900  0.82463800  1.0
  Re  Re3  1  0.98413700  0.74673100  0.17536200  1.0
  O  O4  1  0.21428700  0.94849400  0.90012700  1.0
  O  O5  1  0.25016900  0.40782100  0.63928700  1.0
  O  O6  1  0.20911800  0.43553200  0.11366100  1.0
  O  O7  1  0.26172600  0.88997600  0.37188900  1.0
  O  O8  1  0.73827400  0.11002400  0.62811100  1.0
  O  O9  1  0.79088200  0.56446800  0.88633900  1.0
  O  O10  1  0.74983100  0.59217900  0.36071300  1.0
  O  O11  1  0.78571300  0.05150600  0.09987300  1.0