# generated using pymatgen
data_Th2Be25Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32865025
_cell_length_b   7.34105094
_cell_length_c   7.35762903
_cell_angle_alpha   59.81370705
_cell_angle_beta   59.98080254
_cell_angle_gamma   59.97099650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Be25Ni
_chemical_formula_sum   'Th2 Be25 Ni1'
_cell_volume   279.40365350
_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
  Th  Th0  1  0.24984348  0.24681679  0.25323283  1.0
  Th  Th1  1  0.75318321  0.75015652  0.74989311  1.0
  Be  Be2  1  0.49812586  0.50187414  0.50006828  1.0
  Be  Be3  1  0.99975843  0.00024157  0.00159369  1.0
  Be  Be4  1  0.06198750  0.28801596  0.71255665  1.0
  Be  Be5  1  0.71198404  0.93801250  0.06255910  1.0
  Be  Be6  1  0.06353757  0.93646243  0.28788097  1.0
  Be  Be7  1  0.93569497  0.06430503  0.71397040  1.0
  Be  Be8  1  0.93763170  0.28793688  0.06225722  1.0
  Be  Be9  1  0.71206312  0.06236830  0.28782681  1.0
  Be  Be10  1  0.56305238  0.78855435  0.43667824  1.0
  Be  Be11  1  0.43811829  0.78805145  0.21090269  1.0
  Be  Be12  1  0.78897844  0.43827885  0.56232577  1.0
  Be  Be13  1  0.43863119  0.21070709  0.56173889  1.0
  Be  Be14  1  0.78929291  0.56136881  0.21107518  1.0
  Be  Be15  1  0.56172115  0.21102156  0.78958207  1.0
  Be  Be16  1  0.21144565  0.43694762  0.78828598  1.0
  Be  Be17  1  0.21194855  0.56188171  0.43707243  1.0
  Be  Be18  1  0.71188559  0.28811441  0.93697921  1.0
  Be  Be19  1  0.28820967  0.06257818  0.93621105  1.0
  Be  Be20  1  0.28796265  0.93692654  0.71190483  1.0
  Be  Be21  1  0.06307346  0.71203735  0.93679402  1.0
  Be  Be22  1  0.93742182  0.71179033  0.28699890  1.0
  Be  Be23  1  0.28903943  0.71096057  0.06316911  1.0
  Be  Be24  1  0.56297942  0.43702058  0.21052206  1.0
  Be  Be25  1  0.79194725  0.20805275  0.43978518  1.0
  Be  Be26  1  0.43581411  0.56418589  0.78736925  1.0
  Ni  Ni27  1  0.20466815  0.79533185  0.56076906  1.0