# generated using pymatgen
data_PuReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37345900
_cell_length_b   5.78738000
_cell_length_c   6.46330300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuReB2
_chemical_formula_sum   'Pu4 Re4 B8'
_cell_volume   200.99740701
_cell_formula_units_Z   4
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
  Pu  Pu0  1  0.75000000  0.49729600  0.16364500  1.0
  Pu  Pu1  1  0.75000000  0.99729600  0.33635500  1.0
  Pu  Pu2  1  0.25000000  0.50270400  0.83635500  1.0
  Pu  Pu3  1  0.25000000  0.00270400  0.66364500  1.0
  Re  Re4  1  0.75000000  0.31567800  0.68701800  1.0
  Re  Re5  1  0.75000000  0.81567800  0.81298200  1.0
  Re  Re6  1  0.25000000  0.68432200  0.31298200  1.0
  Re  Re7  1  0.25000000  0.18432200  0.18701800  1.0
  B  B8  1  0.92037900  0.13388400  0.96518700  1.0
  B  B9  1  0.57962100  0.63388400  0.53481300  1.0
  B  B10  1  0.42037900  0.86611600  0.03481300  1.0
  B  B11  1  0.07962100  0.36611600  0.46518700  1.0
  B  B12  1  0.07962100  0.86611600  0.03481300  1.0
  B  B13  1  0.42037900  0.36611600  0.46518700  1.0
  B  B14  1  0.57962100  0.13388400  0.96518700  1.0
  B  B15  1  0.92037900  0.63388400  0.53481300  1.0