# generated using pymatgen
data_Sc9Be(ReO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62639042
_cell_length_b   8.41596630
_cell_length_c   8.33008803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.83060032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc9Be(ReO)3
_chemical_formula_sum   'Sc18 Be2 Re6 O6'
_cell_volume   519.29868725
_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  0.45750625  0.91501250  0.25000000  1.0
  Sc  Sc1  1  0.54249375  0.08498750  0.75000000  1.0
  Sc  Sc2  1  0.09075699  0.55330276  0.25000000  1.0
  Sc  Sc3  1  0.90924301  0.44669724  0.75000000  1.0
  Sc  Sc4  1  0.46254577  0.55330276  0.25000000  1.0
  Sc  Sc5  1  0.53745423  0.44669724  0.75000000  1.0
  Sc  Sc6  1  0.20283734  0.40567268  0.55806643  1.0
  Sc  Sc7  1  0.79716266  0.59432732  0.44193357  1.0
  Sc  Sc8  1  0.59149171  0.79777389  0.54657483  1.0
  Sc  Sc9  1  0.79716266  0.59432732  0.05806643  1.0
  Sc  Sc10  1  0.40850829  0.20222611  0.45342517  1.0
  Sc  Sc11  1  0.20283734  0.40567268  0.94193357  1.0
  Sc  Sc12  1  0.20628418  0.79777389  0.54657483  1.0
  Sc  Sc13  1  0.40850829  0.20222611  0.04657483  1.0
  Sc  Sc14  1  0.79371582  0.20222611  0.45342517  1.0
  Sc  Sc15  1  0.59149171  0.79777389  0.95342517  1.0
  Sc  Sc16  1  0.79371582  0.20222611  0.04657483  1.0
  Sc  Sc17  1  0.20628418  0.79777389  0.95342517  1.0
  Be  Be18  1  0.10088561  0.20177022  0.25000000  1.0
  Be  Be19  1  0.89911439  0.79822978  0.75000000  1.0
  Re  Re20  1  0.79235362  0.90405263  0.25000000  1.0
  Re  Re21  1  0.20764638  0.09594737  0.75000000  1.0
  Re  Re22  1  0.11170001  0.90405263  0.25000000  1.0
  Re  Re23  1  0.88829999  0.09594737  0.75000000  1.0
  Re  Re24  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re25  1  0.00000000  0.00000000  0.50000000  1.0
  O  O26  1  0.50000000  0.00000000  0.00000000  1.0
  O  O27  1  0.00000000  0.50000000  0.00000000  1.0
  O  O28  1  0.50000000  0.00000000  0.50000000  1.0
  O  O29  1  0.50000000  0.50000000  0.00000000  1.0
  O  O30  1  0.00000000  0.50000000  0.50000000  1.0
  O  O31  1  0.50000000  0.50000000  0.50000000  1.0