# generated using pymatgen
data_Be12Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20062428
_cell_length_b   5.59986348
_cell_length_c   5.59986929
_cell_angle_alpha   81.88353736
_cell_angle_beta   67.94140990
_cell_angle_gamma   67.94147419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be12Nb
_chemical_formula_sum   'Be12 Nb1'
_cell_volume   113.14664784
_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
  Be  Be0  1  0.50000000  0.78228419  0.21771581  1.0
  Be  Be1  1  0.35145353  0.64787247  0.64787247  1.0
  Be  Be2  1  -0.00000000  0.35259356  0.64740644  1.0
  Be  Be3  1  0.00000000  0.64740644  0.35259356  1.0
  Be  Be4  1  0.71783151  0.78276074  0.78276074  1.0
  Be  Be5  1  0.50000000  -0.00000000  0.50000000  1.0
  Be  Be6  1  0.50000000  0.21771581  0.78228419  1.0
  Be  Be7  1  0.64854647  0.35212753  0.35212753  1.0
  Be  Be8  1  0.28216849  0.21723926  0.21723926  1.0
  Be  Be9  1  0.50000000  0.50000000  -0.00000000  1.0
  Be  Be10  1  0.00000000  0.50000000  -0.00000000  1.0
  Be  Be11  1  0.00000000  -0.00000000  0.50000000  1.0
  Nb  Nb12  1  0.00000000  -0.00000000  -0.00000000  1.0