# generated using pymatgen
data_CaBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25865353
_cell_length_b   7.25865300
_cell_length_c   7.25858957
_cell_angle_alpha   60.00028901
_cell_angle_beta   60.00029146
_cell_angle_gamma   60.00058397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe13
_chemical_formula_sum   'Ca2 Be26'
_cell_volume   270.42894071
_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
  Ca  Ca0  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.75000000  1.0
  Be  Be2  1  0.00000000  -0.00000000  0.00000000  1.0
  Be  Be3  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be4  1  0.28857026  0.93592609  0.06409518  1.0
  Be  Be5  1  0.56408894  0.43591106  0.78857925  1.0
  Be  Be6  1  0.78858187  0.21141813  0.56407981  1.0
  Be  Be7  1  0.56407674  0.78858816  0.21142742  1.0
  Be  Be8  1  0.43592326  0.21141184  0.78857258  1.0
  Be  Be9  1  0.43592609  0.78857026  0.56409518  1.0
  Be  Be10  1  0.78857026  0.43592609  0.21140947  1.0
  Be  Be11  1  0.06407674  0.28858816  0.93590868  1.0
  Be  Be12  1  0.93591106  0.06408894  0.28857925  1.0
  Be  Be13  1  0.71141813  0.28858187  0.06407981  1.0
  Be  Be14  1  0.93592326  0.71141184  0.06409132  1.0
  Be  Be15  1  0.71141184  0.93592326  0.28857258  1.0
  Be  Be16  1  0.06408894  0.93591106  0.71142075  1.0
  Be  Be17  1  0.28858816  0.06407674  0.71142742  1.0
  Be  Be18  1  0.28858187  0.71141813  0.93592019  1.0
  Be  Be19  1  0.78858816  0.56407674  0.43590868  1.0
  Be  Be20  1  0.21141813  0.78858187  0.43592019  1.0
  Be  Be21  1  0.21142974  0.56407391  0.78859053  1.0
  Be  Be22  1  0.56407391  0.21142974  0.43590482  1.0
  Be  Be23  1  0.43591106  0.56408894  0.21142075  1.0
  Be  Be24  1  0.21141184  0.43592326  0.56409132  1.0
  Be  Be25  1  0.06407391  0.71142974  0.28859053  1.0
  Be  Be26  1  0.71142974  0.06407391  0.93590482  1.0
  Be  Be27  1  0.93592609  0.28857026  0.71140947  1.0