# generated using pymatgen
data_CePu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77168361
_cell_length_b   6.73310120
_cell_length_c   5.21237200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04167452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePu3
_chemical_formula_sum   'Ce2 Pu6'
_cell_volume   205.72890023
_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
  Ce  Ce0  1  0.33357500  0.66696000  0.75000100  1.0
  Ce  Ce1  1  0.66664700  0.33318600  0.25000000  1.0
  Pu  Pu2  1  0.16406800  0.32804700  0.25000000  1.0
  Pu  Pu3  1  0.67167700  0.83578400  0.25000000  1.0
  Pu  Pu4  1  0.16412500  0.83577400  0.25000000  1.0
  Pu  Pu5  1  0.83595800  0.67206000  0.75000100  1.0
  Pu  Pu6  1  0.32818400  0.16413400  0.75000100  1.0
  Pu  Pu7  1  0.83576500  0.16405400  0.75000100  1.0