# generated using pymatgen
data_CeTh(Be12Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33980629
_cell_length_b   7.38322372
_cell_length_c   7.31714047
_cell_angle_alpha   59.90481457
_cell_angle_beta   59.90689186
_cell_angle_gamma   59.60060474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh(Be12Ni)2
_chemical_formula_sum   'Ce1 Th1 Be24 Ni2'
_cell_volume   279.13429621
_cell_formula_units_Z   1
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  0.99833852  0.00165476  0.99834766  1.0
  Th  Th1  1  0.50211748  0.49788682  0.50211091  1.0
  Be  Be2  1  0.31799225  0.53734794  0.18198473  1.0
  Be  Be3  1  0.18198162  0.96269397  0.31797164  1.0
  Be  Be4  1  0.03990754  0.68636937  0.45999768  1.0
  Be  Be5  1  0.45999534  0.81371980  0.03990424  1.0
  Be  Be6  1  0.68520335  0.03560228  0.81548262  1.0
  Be  Be7  1  0.81544903  0.46378403  0.68515576  1.0
  Be  Be8  1  0.95981729  0.54375163  0.31116599  1.0
  Be  Be9  1  0.54048857  0.95835860  0.18783441  1.0
  Be  Be10  1  0.18783877  0.31325725  0.54059156  1.0
  Be  Be11  1  0.31116008  0.18528019  0.95981233  1.0
  Be  Be12  1  0.46213303  0.03329000  0.68685675  1.0
  Be  Be13  1  0.03762025  0.46608431  0.81329613  1.0
  Be  Be14  1  0.81332839  0.68296594  0.03761500  1.0
  Be  Be15  1  0.68686210  0.81769165  0.46210126  1.0
  Be  Be16  1  0.31209674  0.96043732  0.54063699  1.0
  Be  Be17  1  0.18725765  0.53980241  0.96005516  1.0
  Be  Be18  1  0.54061768  0.18683597  0.31209195  1.0
  Be  Be19  1  0.96007663  0.31284713  0.18724921  1.0
  Be  Be20  1  0.68715794  0.46129791  0.03740842  1.0
  Be  Be21  1  0.81343464  0.03796028  0.46192175  1.0
  Be  Be22  1  0.03741638  0.81413001  0.68713526  1.0
  Be  Be23  1  0.46193166  0.68671383  0.81344878  1.0
  Be  Be24  1  0.24996910  0.25002534  0.25001740  1.0
  Be  Be25  1  0.75000273  0.75001688  0.74998264  1.0
  Ni  Ni26  1  0.54697227  0.30898808  0.95283957  1.0
  Ni  Ni27  1  0.95282997  0.19120629  0.54698817  1.0