# generated using pymatgen
data_Ca(LaB9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14626078
_cell_length_b   4.14626078
_cell_length_c   12.44253295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(LaB9)2
_chemical_formula_sum   'Ca1 La2 B18'
_cell_volume   213.90553669
_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
  La  La1  1  0.00000000  0.00000000  0.33513777  1.0
  La  La2  1  0.00000000  0.00000000  0.66486223  1.0
  B  B3  1  0.20073688  0.50000000  0.16577379  1.0
  B  B4  1  0.20006937  0.50000000  0.50000000  1.0
  B  B5  1  0.20073688  0.50000000  0.83422621  1.0
  B  B6  1  0.50000000  0.50000000  0.26582013  1.0
  B  B7  1  0.50000000  0.50000000  0.60025120  1.0
  B  B8  1  0.50000000  0.50000000  0.93328361  1.0
  B  B9  1  0.50000000  0.20073688  0.16577379  1.0
  B  B10  1  0.50000000  0.20006937  0.50000000  1.0
  B  B11  1  0.50000000  0.20073688  0.83422621  1.0
  B  B12  1  0.50000000  0.50000000  0.06671639  1.0
  B  B13  1  0.50000000  0.50000000  0.39974880  1.0
  B  B14  1  0.50000000  0.50000000  0.73417987  1.0
  B  B15  1  0.50000000  0.79926312  0.16577379  1.0
  B  B16  1  0.50000000  0.79993063  0.50000000  1.0
  B  B17  1  0.50000000  0.79926312  0.83422621  1.0
  B  B18  1  0.79926312  0.50000000  0.16577379  1.0
  B  B19  1  0.79993063  0.50000000  0.50000000  1.0
  B  B20  1  0.79926312  0.50000000  0.83422621  1.0