# generated using pymatgen
data_Be3Si2PRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01045967
_cell_length_b   5.67806421
_cell_length_c   12.04214172
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99759117
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si2PRu6
_chemical_formula_sum   'Be6 Si4 P2 Ru12'
_cell_volume   274.21940600
_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
  Be  Be0  1  0.99998785  0.00000000  0.99476170  1.0
  Be  Be1  1  0.49982353  0.50000100  0.17191473  1.0
  Be  Be2  1  0.99975240  0.00000000  0.33863831  1.0
  Be  Be3  1  0.50000401  0.50000100  0.49983217  1.0
  Be  Be4  1  0.00013334  0.00000000  0.66683436  1.0
  Be  Be5  1  0.50022113  0.50000100  0.82802973  1.0
  Si  Si6  1  0.99968613  0.50000100  0.33217807  1.0
  Si  Si7  1  0.50001056  0.00000000  0.49911981  1.0
  Si  Si8  1  0.00035176  0.50000100  0.66754460  1.0
  Si  Si9  1  0.50027901  0.00000000  0.83448636  1.0
  P  P10  1  0.99997145  0.50000100  0.00027830  1.0
  P  P11  1  0.49972035  0.00000000  0.16639102  1.0
  Ru  Ru12  1  0.49997406  0.25415526  0.00381915  1.0
  Ru  Ru13  1  0.49997406  0.74584674  0.00381915  1.0
  Ru  Ru14  1  0.99981380  0.24585379  0.16286165  1.0
  Ru  Ru15  1  0.99981380  0.75414621  0.16286165  1.0
  Ru  Ru16  1  0.49976990  0.24644118  0.32894636  1.0
  Ru  Ru17  1  0.49976990  0.75356082  0.32894636  1.0
  Ru  Ru18  1  0.00001400  0.25134368  0.49944316  1.0
  Ru  Ru19  1  0.00001400  0.74865632  0.49944316  1.0
  Ru  Ru20  1  0.50024838  0.24866002  0.66720624  1.0
  Ru  Ru21  1  0.50024838  0.75134198  0.66720624  1.0
  Ru  Ru22  1  0.00020811  0.25355299  0.83771936  1.0
  Ru  Ru23  1  0.00020811  0.74644701  0.83771936  1.0