# generated using pymatgen
data_TaBe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20847300
_cell_length_b   5.57845015
_cell_length_c   5.57845129
_cell_angle_alpha   81.81985304
_cell_angle_beta   67.83914366
_cell_angle_gamma   67.83914815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe12
_chemical_formula_sum   'Ta1 Be12'
_cell_volume   112.32961311
_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
  Ta  Ta0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Be  Be1  1  -0.00000000  0.64820009  0.35179991  1.0
  Be  Be2  1  -0.00000000  0.50000000  -0.00000000  1.0
  Be  Be3  1  0.64820009  0.35179991  0.35179991  1.0
  Be  Be4  1  0.50000000  0.21532261  0.78467739  1.0
  Be  Be5  1  0.00000000  0.35179991  0.64820009  1.0
  Be  Be6  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be7  1  0.35179991  0.64820009  0.64820009  1.0
  Be  Be8  1  0.28467739  0.21532261  0.21532261  1.0
  Be  Be9  1  0.50000000  0.78467739  0.21532261  1.0
  Be  Be10  1  -0.00000000  0.00000000  0.50000000  1.0
  Be  Be11  1  0.71532261  0.78467739  0.78467739  1.0
  Be  Be12  1  0.50000000  0.50000000  -0.00000000  1.0