# generated using pymatgen
data_Ba2Cu3BrClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38271385
_cell_length_b   8.38271385
_cell_length_c   8.38271385
_cell_angle_alpha   141.22898034
_cell_angle_beta   141.22898034
_cell_angle_gamma   55.99193418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu3BrClO4
_chemical_formula_sum   'Ba2 Cu3 Br1 Cl1 O4'
_cell_volume   229.21270545
_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
  Ba  Ba0  1  0.63425700  0.63425700  0.00000000  1.0
  Ba  Ba1  1  0.36574300  0.36574300  0.00000000  1.0
  Cu  Cu2  1  0.50012800  0.00012800  0.50000000  1.0
  Cu  Cu3  1  0.99987200  0.49987200  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br5  1  0.75000000  0.25000000  0.50000000  1.0
  Cl  Cl6  1  0.25000000  0.75000000  0.50000000  1.0
  O  O7  1  0.75702300  0.24297700  0.00000000  1.0
  O  O8  1  0.24297700  0.75702300  0.00000000  1.0
  O  O9  1  0.24297700  0.24297700  0.48595500  1.0
  O  O10  1  0.75702300  0.75702300  0.51404500  1.0