# generated using pymatgen
data_Ba2GdB2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35037861
_cell_length_b   6.49042630
_cell_length_c   11.42204095
_cell_angle_alpha   83.79749124
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GdB2ClO6
_chemical_formula_sum   'Ba4 Gd2 B4 Cl2 O12'
_cell_volume   394.32264865
_cell_formula_units_Z   2
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  0.75000000  0.40478612  0.70795116  1.0
  Ba  Ba1  1  0.25000000  0.59521388  0.29204884  1.0
  Ba  Ba2  1  0.75000000  0.15909074  0.07355430  1.0
  Ba  Ba3  1  0.25000000  0.84090926  0.92644570  1.0
  Gd  Gd4  1  0.75000000  0.15449356  0.41172473  1.0
  Gd  Gd5  1  0.25000000  0.84550644  0.58827527  1.0
  B  B6  1  0.25000000  0.12607171  0.22309282  1.0
  B  B7  1  0.75000000  0.87392829  0.77690718  1.0
  B  B8  1  0.75000000  0.71131698  0.42527159  1.0
  B  B9  1  0.25000000  0.28868302  0.57472841  1.0
  Cl  Cl10  1  0.75000000  0.65066011  0.08480560  1.0
  Cl  Cl11  1  0.25000000  0.34933989  0.91519440  1.0
  O  O12  1  0.47059946  0.21127153  0.25927991  1.0
  O  O13  1  0.97059946  0.78872847  0.74072009  1.0
  O  O14  1  0.52940054  0.78872847  0.74072009  1.0
  O  O15  1  0.02940054  0.21127153  0.25927991  1.0
  O  O16  1  0.53096892  0.82352052  0.43346145  1.0
  O  O17  1  0.03096892  0.17647948  0.56653855  1.0
  O  O18  1  0.46903108  0.17647948  0.56653855  1.0
  O  O19  1  0.96903108  0.82352052  0.43346145  1.0
  O  O20  1  0.75000000  0.51070261  0.40287395  1.0
  O  O21  1  0.25000000  0.48929739  0.59712605  1.0
  O  O22  1  0.25000000  0.97710049  0.14604460  1.0
  O  O23  1  0.75000000  0.02289951  0.85395540  1.0