# generated using pymatgen
data_Mn2Be8AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25816005
_cell_length_b   4.25815771
_cell_length_c   6.94835521
_cell_angle_alpha   89.99984300
_cell_angle_beta   89.99985802
_cell_angle_gamma   60.00178590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Be8AlFe
_chemical_formula_sum   'Mn2 Be8 Al1 Fe1'
_cell_volume   109.10990610
_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
  Mn  Mn0  1  0.66666454  0.66667054  0.05452110  1.0
  Mn  Mn1  1  0.33333734  0.33333134  0.93280650  1.0
  Be  Be2  1  0.99999754  0.00000554  0.50331745  1.0
  Be  Be3  1  0.99999893  0.99999793  0.00403025  1.0
  Be  Be4  1  0.83249500  0.33502780  0.74730970  1.0
  Be  Be5  1  0.33502880  0.83249300  0.74730970  1.0
  Be  Be6  1  0.83247354  0.83247054  0.74731474  1.0
  Be  Be7  1  0.17000015  0.66001324  0.25197668  1.0
  Be  Be8  1  0.66001224  0.17000215  0.25197668  1.0
  Be  Be9  1  0.16998787  0.16998787  0.25197775  1.0
  Al  Al10  1  0.66666709  0.66666709  0.44217319  1.0
  Fe  Fe11  1  0.33333394  0.33333294  0.56528727  1.0