# generated using pymatgen
data_CuReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74705800
_cell_length_b   6.63285110
_cell_length_c   7.85954241
_cell_angle_alpha   94.04549029
_cell_angle_beta   101.49398363
_cell_angle_gamma   104.66059628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReO4
_chemical_formula_sum   'Cu6 Re6 O24'
_cell_volume   477.78521419
_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
  Cu  Cu0  1  0.21068700  0.98470800  0.11663800  1.0
  Cu  Cu1  1  0.54215000  0.32539500  0.46129800  1.0
  Cu  Cu2  1  0.21272500  0.44022300  0.73912100  1.0
  Cu  Cu3  1  0.78727500  0.55977700  0.26087900  1.0
  Cu  Cu4  1  0.45785000  0.67460500  0.53870200  1.0
  Cu  Cu5  1  0.78931300  0.01529200  0.88336200  1.0
  Re  Re6  1  0.87977600  0.10377100  0.40358100  1.0
  Re  Re7  1  0.45203200  0.23576800  0.94944400  1.0
  Re  Re8  1  0.13354700  0.34171700  0.22744900  1.0
  Re  Re9  1  0.86645300  0.65828300  0.77255100  1.0
  Re  Re10  1  0.54796800  0.76423200  0.05055600  1.0
  Re  Re11  1  0.12022400  0.89622900  0.59641900  1.0
  O  O12  1  0.90075200  0.03778200  0.63622500  1.0
  O  O13  1  0.59425300  0.11536900  0.90587700  1.0
  O  O14  1  0.24302200  0.05978000  0.78977900  1.0
  O  O15  1  0.96286100  0.15145100  0.13460100  1.0
  O  O16  1  0.71349300  0.19922800  0.45322700  1.0
  O  O17  1  0.33128700  0.19996600  0.19286200  1.0
  O  O18  1  0.44423200  0.29298700  0.71333900  1.0
  O  O19  1  0.21793000  0.34679000  0.97827000  1.0
  O  O20  1  0.07815400  0.26808200  0.49061300  1.0
  O  O21  1  0.97707100  0.44775400  0.21832100  1.0
  O  O22  1  0.59125200  0.39171600  0.12987800  1.0
  O  O23  1  0.69824400  0.52876400  0.57677000  1.0
  O  O24  1  0.30175600  0.47123600  0.42323000  1.0
  O  O25  1  0.40874800  0.60828400  0.87012100  1.0
  O  O26  1  0.02292900  0.55224600  0.78167900  1.0
  O  O27  1  0.92184600  0.73191800  0.50938700  1.0
  O  O28  1  0.78207000  0.65321000  0.02173000  1.0
  O  O29  1  0.55576800  0.70701300  0.28666100  1.0
  O  O30  1  0.66871300  0.80003400  0.80713800  1.0
  O  O31  1  0.28650700  0.80077200  0.54677300  1.0
  O  O32  1  0.03713900  0.84854900  0.86539900  1.0
  O  O33  1  0.75697800  0.94022000  0.21022100  1.0
  O  O34  1  0.40574700  0.88463100  0.09412300  1.0
  O  O35  1  0.09924800  0.96221800  0.36377500  1.0