# generated using pymatgen
data_TiBe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16367717
_cell_length_b   5.58195730
_cell_length_c   5.58195730
_cell_angle_alpha   82.00432978
_cell_angle_beta   68.10178958
_cell_angle_gamma   68.10178958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe12
_chemical_formula_sum   'Ti1 Be12'
_cell_volume   111.68726357
_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
  Ti  Ti0  1  0.00000000  0.00000000  -0.00000000  1.0
  Be  Be1  1  0.00000000  0.00000000  0.50000000  1.0
  Be  Be2  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be3  1  0.50000000  0.50000000  -0.00000000  1.0
  Be  Be4  1  0.00000000  0.50000000  -0.00000000  1.0
  Be  Be5  1  -0.00000000  0.35078321  0.64921679  1.0
  Be  Be6  1  0.00000000  0.64921679  0.35078321  1.0
  Be  Be7  1  0.64921679  0.35078321  0.35078321  1.0
  Be  Be8  1  0.35078321  0.64921679  0.64921679  1.0
  Be  Be9  1  0.50000000  0.78293362  0.21706638  1.0
  Be  Be10  1  0.50000000  0.21706638  0.78293362  1.0
  Be  Be11  1  0.71706638  0.78293362  0.78293362  1.0
  Be  Be12  1  0.28293362  0.21706638  0.21706638  1.0