# generated using pymatgen
data_Ba3Lu2ReO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94143180
_cell_length_b   8.41240145
_cell_length_c   10.28999471
_cell_angle_alpha   65.87265848
_cell_angle_beta   73.21988440
_cell_angle_gamma   89.99999591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Lu2ReO9
_chemical_formula_sum   'Ba6 Lu4 Re2 O18'
_cell_volume   445.27704669
_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
  Ba  Ba0  1  0.50000000  0.26362284  1.00000000  1.0
  Ba  Ba1  1  0.83886704  0.58118937  0.32226393  1.0
  Ba  Ba2  1  0.16113296  0.90345529  0.67773607  1.0
  Ba  Ba3  1  0.50000000  0.73637716  0.00000000  1.0
  Ba  Ba4  1  0.83886704  0.09654471  0.32226393  1.0
  Ba  Ba5  1  0.16113296  0.41881063  0.67773607  1.0
  Lu  Lu6  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu7  1  0.33039864  0.33039864  0.33920272  1.0
  Lu  Lu8  1  0.66960136  0.66960136  0.66079728  1.0
  Lu  Lu9  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re10  1  0.33391720  0.83391720  0.33216360  1.0
  Re  Re11  1  0.66608280  0.16608280  0.66783540  1.0
  O  O12  1  0.00000000  0.24637326  1.00000000  1.0
  O  O13  1  0.33108418  0.59941988  0.33782965  1.0
  O  O14  1  0.66891582  0.93725253  0.66217035  1.0
  O  O15  1  0.16276802  0.41159766  0.17680668  1.0
  O  O16  1  0.49164256  0.75869249  0.48261402  1.0
  O  O17  1  0.82019132  0.08900661  0.82198478  1.0
  O  O18  1  0.33957270  0.58840234  0.82319332  1.0
  O  O19  1  0.64217610  0.91099339  0.17801522  1.0
  O  O20  1  0.97425858  0.24130751  0.51738598  1.0
  O  O21  1  1.00000000  0.75362674  0.00000000  1.0
  O  O22  1  0.33108418  0.06274747  0.33782965  1.0
  O  O23  1  0.66891582  0.40058012  0.66217035  1.0
  O  O24  1  0.83723198  0.58840234  0.82319332  1.0
  O  O25  1  0.17980868  0.91099339  0.17801522  1.0
  O  O26  1  0.50835744  0.24130751  0.51738598  1.0
  O  O27  1  0.66042730  0.41159766  0.17680668  1.0
  O  O28  1  0.02574142  0.75869249  0.48261402  1.0
  O  O29  1  0.35782390  0.08900661  0.82198478  1.0