# generated using pymatgen
data_La9B3C6Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88929600
_cell_length_b   7.98151100
_cell_length_c   33.32192100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La9B3C6Br5
_chemical_formula_sum   'La18 B6 C12 Br10'
_cell_volume   1034.39435999
_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
  La  La0  1  0.00000000  0.80474200  0.74079100  1.0
  La  La1  1  0.00000000  0.65028900  0.61694800  1.0
  La  La2  1  0.00000000  0.08474900  0.65440300  1.0
  La  La3  1  0.50000000  0.95002100  0.44450000  1.0
  La  La4  1  0.00000000  0.45129100  0.00000000  1.0
  La  La5  1  0.50000000  0.34971100  0.88305200  1.0
  La  La6  1  0.50000000  0.19525800  0.75920900  1.0
  La  La7  1  0.50000000  0.91525100  0.84559700  1.0
  La  La8  1  0.50000000  0.34971100  0.11694800  1.0
  La  La9  1  0.50000000  0.91525100  0.15440300  1.0
  La  La10  1  0.00000000  0.04997900  0.94450000  1.0
  La  La11  1  0.00000000  0.04997900  0.05550000  1.0
  La  La12  1  0.50000000  0.19525800  0.24079100  1.0
  La  La13  1  0.50000000  0.95002100  0.55550000  1.0
  La  La14  1  0.00000000  0.08474900  0.34559700  1.0
  La  La15  1  0.00000000  0.65028900  0.38305200  1.0
  La  La16  1  0.00000000  0.80474200  0.25920900  1.0
  La  La17  1  0.50000000  0.54870900  0.50000000  1.0
  B  B18  1  0.50000000  0.86299500  0.67014300  1.0
  B  B19  1  0.00000000  0.13700500  0.17014300  1.0
  B  B20  1  0.50000000  0.22681300  0.00000000  1.0
  B  B21  1  0.00000000  0.13700500  0.82985700  1.0
  B  B22  1  0.50000000  0.86299500  0.32985700  1.0
  B  B23  1  0.00000000  0.77318700  0.50000000  1.0
  C  C24  1  0.00000000  0.72807400  0.54341300  1.0
  C  C25  1  0.00000000  0.02707100  0.79356500  1.0
  C  C26  1  0.50000000  0.86489800  0.62541300  1.0
  C  C27  1  0.50000000  0.97292900  0.29356500  1.0
  C  C28  1  0.00000000  0.13510200  0.12541300  1.0
  C  C29  1  0.50000000  0.27192600  0.04341300  1.0
  C  C30  1  0.00000000  0.13510200  0.87458700  1.0
  C  C31  1  0.50000000  0.97292900  0.70643500  1.0
  C  C32  1  0.50000000  0.27192600  0.95658700  1.0
  C  C33  1  0.00000000  0.02707100  0.20643500  1.0
  C  C34  1  0.00000000  0.72807400  0.45658700  1.0
  C  C35  1  0.50000000  0.86489800  0.37458700  1.0
  Br  Br36  1  0.50000000  0.57426800  0.20197200  1.0
  Br  Br37  1  0.50000000  0.32676300  0.59797900  1.0
  Br  Br38  1  0.00000000  0.21439200  0.50000000  1.0
  Br  Br39  1  0.00000000  0.42573200  0.29802800  1.0
  Br  Br40  1  0.00000000  0.42573200  0.70197200  1.0
  Br  Br41  1  0.00000000  0.67323700  0.09797900  1.0
  Br  Br42  1  0.50000000  0.78560800  0.00000000  1.0
  Br  Br43  1  0.00000000  0.67323700  0.90202100  1.0
  Br  Br44  1  0.50000000  0.57426800  0.79802800  1.0
  Br  Br45  1  0.50000000  0.32676300  0.40202100  1.0