# generated using pymatgen
data_La2B3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85487416
_cell_length_b   7.85383172
_cell_length_c   8.54802579
_cell_angle_alpha   90.00249127
_cell_angle_beta   89.99620042
_cell_angle_gamma   119.99645535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2B3Br
_chemical_formula_sum   'La8 B12 Br4'
_cell_volume   456.70186932
_cell_formula_units_Z   4
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  0.16671225  0.33377202  0.21763139  1.0
  La  La1  1  0.16752692  0.83343502  0.21754213  1.0
  La  La2  1  0.66673928  0.33326619  0.76866481  1.0
  La  La3  1  0.66599524  0.83359496  0.21752534  1.0
  La  La4  1  0.16760509  0.83336345  0.78248679  1.0
  La  La5  1  0.66659424  0.33321896  0.23126928  1.0
  La  La6  1  0.16682947  0.33373169  0.78239984  1.0
  La  La7  1  0.66601647  0.83370387  0.78249970  1.0
  B  B8  1  0.40368921  0.80730537  0.00001042  1.0
  B  B9  1  0.19222319  0.59595922  -0.00000578  1.0
  B  B10  1  0.52743460  0.47254512  -0.00000834  1.0
  B  B11  1  0.14076240  0.07025768  -0.00002126  1.0
  B  B12  1  0.38728516  0.19358210  -0.00001199  1.0
  B  B13  1  0.52721827  0.05450949  -0.00001066  1.0
  B  B14  1  0.40375272  0.59600413  -0.00000449  1.0
  B  B15  1  0.80627894  0.19354055  0.00000490  1.0
  B  B16  1  0.80626301  0.61258356  0.00000237  1.0
  B  B17  1  0.92959567  0.07026201  -0.00000503  1.0
  B  B18  1  0.94513766  0.47260074  -0.00000008  1.0
  B  B19  1  0.92963751  0.85916366  -0.00003341  1.0
  Br  Br20  1  0.00524302  0.50283661  0.50001783  1.0
  Br  Br21  1  0.49734694  0.99476310  0.50000057  1.0
  Br  Br22  1  0.49753893  0.50282285  0.50001248  1.0
  Br  Br23  1  -0.00009619  -0.00015532  0.50003419  1.0