# generated using pymatgen
data_Th2Be23Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34324133
_cell_length_b   7.34324091
_cell_length_c   7.39252270
_cell_angle_alpha   119.77971851
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Be23Ni3
_chemical_formula_sum   'Th2 Be23 Ni3'
_cell_volume   282.80772895
_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  0.75084045  0.50168291  0.25252436  1.0
  Th  Th1  1  0.25368522  0.50737044  0.76105466  1.0
  Be  Be2  1  0.00061995  0.00123890  0.00185885  1.0
  Be  Be3  1  0.43381431  0.65104474  0.21757859  1.0
  Be  Be4  1  0.56653384  0.00034816  0.21757859  1.0
  Be  Be5  1  0.21723043  0.78376527  0.21757859  1.0
  Be  Be6  1  0.06794217  0.00295184  0.29037568  1.0
  Be  Be7  1  0.93500867  0.22243351  0.29037568  1.0
  Be  Be8  1  0.28742383  0.35536600  0.29037568  1.0
  Be  Be9  1  0.43485031  0.21995221  0.43096318  1.0
  Be  Be10  1  0.21101097  0.64586027  0.43096318  1.0
  Be  Be11  1  0.78510290  0.99611287  0.43096418  1.0
  Be  Be12  1  0.50202314  0.00404628  0.50607042  1.0
  Be  Be13  1  0.21144572  0.00062736  0.56376050  1.0
  Be  Be14  1  0.56313414  0.77457886  0.56376050  1.0
  Be  Be15  1  0.78918064  0.35231578  0.56376050  1.0
  Be  Be16  1  0.71010254  0.64617536  0.70952837  1.0
  Be  Be17  1  0.06335201  0.77345455  0.70952837  1.0
  Be  Be18  1  0.93607282  0.99942583  0.70952937  1.0
  Be  Be19  1  0.56482875  0.35220643  0.78270175  1.0
  Be  Be20  1  0.43049732  0.99532507  0.78270275  1.0
  Be  Be21  1  0.78737768  0.21787400  0.78270275  1.0
  Be  Be22  1  0.29218006  0.23160350  0.93811687  1.0
  Be  Be23  1  0.70651537  0.99869444  0.93811787  1.0
  Be  Be24  1  0.93942344  0.64593781  0.93811787  1.0
  Ni  Ni25  1  0.29962212  0.00449248  0.05980331  1.0
  Ni  Ni26  1  0.05531083  0.35493395  0.05980331  1.0
  Ni  Ni27  1  0.70486936  0.76018019  0.05980331  1.0