# generated using pymatgen
data_Cu3Se2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50408827
_cell_length_b   5.50408827
_cell_length_c   7.81397617
_cell_angle_alpha   75.68870351
_cell_angle_beta   75.68870351
_cell_angle_gamma   69.16062153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Se2(ClO3)2
_chemical_formula_sum   'Cu3 Se2 Cl2 O6'
_cell_volume   211.03161681
_cell_formula_units_Z   1
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  0.43127600  0.43127600  0.82183900  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.56872400  0.56872400  0.17816100  1.0
  Se  Se3  1  0.83293500  0.83293500  0.73960600  1.0
  Se  Se4  1  0.16706500  0.16706500  0.26039400  1.0
  Cl  Cl5  1  0.70794100  0.70794100  0.36805300  1.0
  Cl  Cl6  1  0.29205900  0.29205900  0.63194700  1.0
  O  O7  1  0.26857600  0.88806700  0.14935600  1.0
  O  O8  1  0.73142400  0.11193300  0.85064400  1.0
  O  O9  1  0.64600400  0.64600400  0.86993000  1.0
  O  O10  1  0.35399600  0.35399600  0.13007000  1.0
  O  O11  1  0.11193300  0.73142400  0.85064400  1.0
  O  O12  1  0.88806700  0.26857600  0.14935600  1.0