# generated using pymatgen
data_Ba2GdB18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21198653
_cell_length_b   4.21198653
_cell_length_c   12.65642687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GdB18
_chemical_formula_sum   'Ba2 Gd1 B18'
_cell_volume   224.53552393
_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  0.00000000  0.00000000  0.33215805  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.66784195  1.0
  Gd  Gd2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.20225265  0.50000000  0.16137355  1.0
  B  B4  1  0.20419145  0.50000000  0.50000000  1.0
  B  B5  1  0.20225265  0.50000000  0.83862645  1.0
  B  B6  1  0.50000000  0.50000000  0.26177151  1.0
  B  B7  1  0.50000000  0.50000000  0.59933114  1.0
  B  B8  1  0.50000000  0.50000000  0.93527219  1.0
  B  B9  1  0.50000000  0.20225265  0.16137355  1.0
  B  B10  1  0.50000000  0.20419145  0.50000000  1.0
  B  B11  1  0.50000000  0.20225265  0.83862645  1.0
  B  B12  1  0.50000000  0.50000000  0.06472781  1.0
  B  B13  1  0.50000000  0.50000000  0.40066886  1.0
  B  B14  1  0.50000000  0.50000000  0.73822849  1.0
  B  B15  1  0.50000000  0.79774735  0.16137355  1.0
  B  B16  1  0.50000000  0.79580855  0.50000000  1.0
  B  B17  1  0.50000000  0.79774735  0.83862645  1.0
  B  B18  1  0.79774735  0.50000000  0.16137355  1.0
  B  B19  1  0.79580855  0.50000000  0.50000000  1.0
  B  B20  1  0.79774735  0.50000000  0.83862645  1.0