# generated using pymatgen
data_CuSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73105286
_cell_length_b   8.67345412
_cell_length_c   10.57942599
_cell_angle_alpha   113.04442618
_cell_angle_beta   91.74888450
_cell_angle_gamma   88.98153431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSeO3
_chemical_formula_sum   'Cu6 Se6 O18'
_cell_volume   399.28584369
_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  0.46969237  0.98847712  0.74442357  1.0
  Cu  Cu1  1  0.03108378  0.64337616  0.66434794  1.0
  Cu  Cu2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu3  1  0.53030763  0.01152288  0.25557643  1.0
  Cu  Cu4  1  -0.00000000  -0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.96891622  0.35662384  0.33565206  1.0
  Se  Se6  1  0.57931304  0.69374215  0.87975822  1.0
  Se  Se7  1  0.54245468  0.72804217  0.47643174  1.0
  Se  Se8  1  0.42068696  0.30625785  0.12024178  1.0
  Se  Se9  1  0.97500601  0.24783151  0.83080553  1.0
  Se  Se10  1  0.45754532  0.27195783  0.52356826  1.0
  Se  Se11  1  0.02499399  0.75216849  0.16919447  1.0
  O  O12  1  0.12008994  0.07207483  0.85319738  1.0
  O  O13  1  0.70171632  0.92139290  0.57644784  1.0
  O  O14  1  0.71657679  0.55685537  0.73005827  1.0
  O  O15  1  0.37403283  0.79153644  0.16922770  1.0
  O  O16  1  0.93940241  0.80302442  0.33545189  1.0
  O  O17  1  0.30938312  0.77440279  0.61417054  1.0
  O  O18  1  0.62596717  0.20846356  0.83077230  1.0
  O  O19  1  0.22555891  0.69578833  0.84319539  1.0
  O  O20  1  0.29828368  0.07860710  0.42355216  1.0
  O  O21  1  0.68587236  0.88440778  0.87784203  1.0
  O  O22  1  0.78954931  0.59692096  0.49589117  1.0
  O  O23  1  0.21045069  0.40307904  0.50410883  1.0
  O  O24  1  0.77444109  0.30421167  0.15680461  1.0
  O  O25  1  0.31412764  0.11559222  0.12215797  1.0
  O  O26  1  0.69061688  0.22559721  0.38582946  1.0
  O  O27  1  0.87991006  0.92792517  0.14680262  1.0
  O  O28  1  0.28342321  0.44314463  0.26994173  1.0
  O  O29  1  0.06059759  0.19697558  0.66454811  1.0