# generated using pymatgen
data_La2Be(BRu)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48839471
_cell_length_b   6.48839471
_cell_length_c   10.13176787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Be(BRu)7
_chemical_formula_sum   'La4 Be2 B14 Ru14'
_cell_volume   426.53998889
_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  0.73360880  0.87666423  0.99950248  1.0
  La  La1  1  0.12333577  0.73360880  0.49950248  1.0
  La  La2  1  0.87666423  0.26639120  0.49950248  1.0
  La  La3  1  0.26639120  0.12333577  0.99950248  1.0
  Be  Be4  1  0.50000000  0.50000000  0.34895682  1.0
  Be  Be5  1  0.50000000  0.50000000  0.84895682  1.0
  B  B6  1  0.50000000  0.00000000  0.58846141  1.0
  B  B7  1  0.50000000  0.00000000  0.40960786  1.0
  B  B8  1  0.89783642  0.27687008  0.17387601  1.0
  B  B9  1  0.10548576  0.72052434  0.82695969  1.0
  B  B10  1  0.27687008  0.10216358  0.67387601  1.0
  B  B11  1  0.10216358  0.72312992  0.17387601  1.0
  B  B12  1  0.27947566  0.10548576  0.32695969  1.0
  B  B13  1  0.89451424  0.27947566  0.82695969  1.0
  B  B14  1  0.50000000  0.50000000  0.65490354  1.0
  B  B15  1  0.50000000  0.50000000  0.15490354  1.0
  B  B16  1  0.00000000  0.50000000  0.90960786  1.0
  B  B17  1  0.72312992  0.89783642  0.67387601  1.0
  B  B18  1  0.72052434  0.89451424  0.32695969  1.0
  B  B19  1  0.00000000  0.50000000  0.08846141  1.0
  Ru  Ru20  1  0.20280696  0.39915217  0.75091540  1.0
  Ru  Ru21  1  0.39018105  0.27536830  0.50361175  1.0
  Ru  Ru22  1  0.39915217  0.79719304  0.25091540  1.0
  Ru  Ru23  1  0.20303787  0.39758082  0.24368635  1.0
  Ru  Ru24  1  0.60981895  0.72463170  0.50361175  1.0
  Ru  Ru25  1  0.60241918  0.20303787  0.74368635  1.0
  Ru  Ru26  1  0.27536830  0.60981895  0.00361175  1.0
  Ru  Ru27  1  0.72463170  0.39018105  0.00361175  1.0
  Ru  Ru28  1  0.79696213  0.60241918  0.24368635  1.0
  Ru  Ru29  1  0.79719304  0.60084783  0.75091540  1.0
  Ru  Ru30  1  0.39758082  0.79696213  0.74368635  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.25096801  1.0
  Ru  Ru32  1  0.60084783  0.20280696  0.25091540  1.0
  Ru  Ru33  1  0.00000000  0.00000000  0.75096801  1.0