# generated using pymatgen
data_Ba2MgCu3(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70159738
_cell_length_b   5.68660273
_cell_length_c   10.13029899
_cell_angle_alpha   106.30036946
_cell_angle_beta   106.34455593
_cell_angle_gamma   90.00000031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgCu3(BrO2)2
_chemical_formula_sum   'Ba2 Mg1 Cu3 Br2 O4'
_cell_volume   301.39450967
_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  0.65754600  0.65754600  0.31509300  1.0
  Ba  Ba1  1  0.34245400  0.34245400  0.68490700  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br6  1  0.75032100  0.25032100  0.50064400  1.0
  Br  Br7  1  0.24967900  0.74967900  0.49935600  1.0
  O  O8  1  0.74369400  0.25587600  0.00000000  1.0
  O  O9  1  0.74369400  0.74412400  0.00000000  1.0
  O  O10  1  0.25630600  0.25587600  0.00000000  1.0
  O  O11  1  0.25630600  0.74412400  0.00000000  1.0