# generated using pymatgen
data_CuSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47677600
_cell_length_b   6.15155100
_cell_length_c   7.30675800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSeO3
_chemical_formula_sum   'Cu4 Se4 O12'
_cell_volume   246.16954975
_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
  Cu  Cu0  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  Se  Se4  1  0.00867300  0.04562500  0.25000000  1.0
  Se  Se5  1  0.50867300  0.45437500  0.75000000  1.0
  Se  Se6  1  0.49132700  0.54562500  0.25000000  1.0
  Se  Se7  1  0.99132700  0.95437500  0.75000000  1.0
  O  O8  1  0.91521300  0.20593400  0.43244100  1.0
  O  O9  1  0.41521300  0.29406600  0.56755900  1.0
  O  O10  1  0.58478700  0.70593400  0.06755900  1.0
  O  O11  1  0.08478700  0.79406600  0.93244100  1.0
  O  O12  1  0.08478700  0.79406600  0.56755900  1.0
  O  O13  1  0.58478700  0.70593400  0.43244100  1.0
  O  O14  1  0.41521300  0.29406600  0.93244100  1.0
  O  O15  1  0.91521300  0.20593400  0.06755900  1.0
  O  O16  1  0.33469700  0.07134400  0.25000000  1.0
  O  O17  1  0.83469700  0.42865600  0.75000000  1.0
  O  O18  1  0.16530300  0.57134400  0.25000000  1.0
  O  O19  1  0.66530300  0.92865600  0.75000000  1.0