# generated using pymatgen
data_ThBe12Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33413031
_cell_length_b   7.33413072
_cell_length_c   7.35343818
_cell_angle_alpha   60.26150917
_cell_angle_beta   60.26150937
_cell_angle_gamma   60.27089920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBe12Ni
_chemical_formula_sum   'Th2 Be24 Ni2'
_cell_volume   281.36258602
_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
  Th  Th0  1  0.74307109  0.75003218  0.75320766  1.0
  Th  Th1  1  0.25003218  0.24307109  0.25320766  1.0
  Be  Be2  1  0.49897593  0.50045803  0.50238693  1.0
  Be  Be3  1  0.00045803  0.99897593  0.00238693  1.0
  Be  Be4  1  0.93581034  0.28891593  0.71182588  1.0
  Be  Be5  1  0.71165764  0.93583103  0.28929914  1.0
  Be  Be6  1  0.28504429  0.06608064  0.71236653  1.0
  Be  Be7  1  0.93624955  0.06356586  0.28882860  1.0
  Be  Be8  1  0.71041639  0.28826912  0.06251680  1.0
  Be  Be9  1  0.56356586  0.43624955  0.78882860  1.0
  Be  Be10  1  0.78889622  0.56332672  0.43601846  1.0
  Be  Be11  1  0.43583103  0.21165764  0.78929914  1.0
  Be  Be12  1  0.43669763  0.56264154  0.21195104  1.0
  Be  Be13  1  0.78826912  0.21041639  0.56251680  1.0
  Be  Be14  1  0.20764153  0.43724863  0.56352712  1.0
  Be  Be15  1  0.21220931  0.78887071  0.43537550  1.0
  Be  Be16  1  0.56608064  0.78504429  0.21236653  1.0
  Be  Be17  1  0.06332672  0.28889622  0.93601846  1.0
  Be  Be18  1  0.06874386  0.71316794  0.28469927  1.0
  Be  Be19  1  0.28887071  0.71220931  0.93537550  1.0
  Be  Be20  1  0.06264154  0.93669763  0.71195104  1.0
  Be  Be21  1  0.71117029  0.06186635  0.93675836  1.0
  Be  Be22  1  0.93724863  0.70764153  0.06352712  1.0
  Be  Be23  1  0.78891593  0.43581034  0.21182588  1.0
  Be  Be24  1  0.56186635  0.21117029  0.43675836  1.0
  Be  Be25  1  0.21316794  0.56874386  0.78469927  1.0
  Ni  Ni26  1  0.43915447  0.79398779  0.56124072  1.0
  Ni  Ni27  1  0.29398779  0.93915447  0.06124072  1.0