# generated using pymatgen
data_Ca(GdB9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11122542
_cell_length_b   4.11122542
_cell_length_c   12.33698420
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(GdB9)2
_chemical_formula_sum   'Ca1 Gd2 B18'
_cell_volume   208.52185970
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Gd  Gd1  1  0.00000000  0.00000000  0.33618671  1.0
  Gd  Gd2  1  0.00000000  0.00000000  0.66381329  1.0
  B  B3  1  0.20008074  0.50000000  0.16752813  1.0
  B  B4  1  0.19917804  0.50000000  0.50000000  1.0
  B  B5  1  0.20008074  0.50000000  0.83247187  1.0
  B  B6  1  0.50000000  0.50000000  0.26730085  1.0
  B  B7  1  0.50000000  0.50000000  0.60014538  1.0
  B  B8  1  0.50000000  0.50000000  0.93265212  1.0
  B  B9  1  0.50000000  0.20008074  0.16752813  1.0
  B  B10  1  0.50000000  0.19917804  0.50000000  1.0
  B  B11  1  0.50000000  0.20008074  0.83247187  1.0
  B  B12  1  0.50000000  0.50000000  0.06734788  1.0
  B  B13  1  0.50000000  0.50000000  0.39985462  1.0
  B  B14  1  0.50000000  0.50000000  0.73269915  1.0
  B  B15  1  0.50000000  0.79991926  0.16752813  1.0
  B  B16  1  0.50000000  0.80082196  0.50000000  1.0
  B  B17  1  0.50000000  0.79991926  0.83247187  1.0
  B  B18  1  0.79991926  0.50000000  0.16752813  1.0
  B  B19  1  0.80082196  0.50000000  0.50000000  1.0
  B  B20  1  0.79991926  0.50000000  0.83247187  1.0