# generated using pymatgen
data_Sc3BeAs2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60695517
_cell_length_b   7.60695634
_cell_length_c   7.60695659
_cell_angle_alpha   127.10641479
_cell_angle_beta   125.94798796
_cell_angle_gamma   79.02691668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3BeAs2Ru3
_chemical_formula_sum   'Sc6 Be2 As4 Ru6'
_cell_volume   274.89425611
_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
  Sc  Sc0  1  0.44491300  0.64312693  0.69821293  1.0
  Sc  Sc1  1  0.55508700  0.25329992  0.19821293  1.0
  Sc  Sc2  1  0.74998697  0.86358876  0.61360179  1.0
  Sc  Sc3  1  0.25001303  0.86361482  0.11360179  1.0
  Sc  Sc4  1  0.05514578  0.25329313  0.69814735  1.0
  Sc  Sc5  1  0.94485422  0.64300058  0.19814735  1.0
  Be  Be6  1  0.25005315  0.25313314  0.50308098  1.0
  Be  Be7  1  0.74994685  0.25302683  0.00308098  1.0
  As  As8  1  0.33326516  0.58656183  0.25330143  1.0
  As  As9  1  0.66673484  0.92003627  0.25329566  1.0
  As  As10  1  0.16674060  0.92003627  0.75330143  1.0
  As  As11  1  0.83325940  0.58656183  0.75329566  1.0
  Ru  Ru12  1  0.50000000  0.49421679  0.99421679  1.0
  Ru  Ru13  1  1.00000000  0.49421679  0.49421679  1.0
  Ru  Ru14  1  0.12044672  0.25346828  0.13292250  1.0
  Ru  Ru15  1  0.87955328  0.01247478  0.13302056  1.0
  Ru  Ru16  1  0.37945422  0.01247478  0.63292250  1.0
  Ru  Ru17  1  0.62054578  0.25346828  0.63302056  1.0