# generated using pymatgen
data_PaReB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14997047
_cell_length_b   5.14997018
_cell_length_c   5.13826267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaReB3
_chemical_formula_sum   'Pa2 Re2 B6'
_cell_volume   118.02022405
_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
  Pa  Pa0  1  0.66666700  0.33333300  0.75000000  1.0
  Pa  Pa1  1  0.33333300  0.66666700  0.25000000  1.0
  Re  Re2  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.22062490  0.44125080  0.75000000  1.0
  B  B5  1  0.77937510  0.22062490  0.25000000  1.0
  B  B6  1  0.44125080  0.22062490  0.25000000  1.0
  B  B7  1  0.55874920  0.77937510  0.75000000  1.0
  B  B8  1  0.77937510  0.55874920  0.25000000  1.0
  B  B9  1  0.22062490  0.77937510  0.75000000  1.0