# generated using pymatgen
data_Mn2Be8FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27026573
_cell_length_b   4.27026528
_cell_length_c   6.96830975
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Be8FeIr
_chemical_formula_sum   'Mn2 Be8 Fe1 Ir1'
_cell_volume   110.04437687
_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  0.66666700  0.33333300  0.94321161  1.0
  Mn  Mn1  1  0.33333300  0.66666700  0.42938406  1.0
  Be  Be2  1  0.00000000  0.00000000  0.00267536  1.0
  Be  Be3  1  0.00000000  0.00000000  0.49948740  1.0
  Be  Be4  1  0.82986645  0.65973389  0.24668987  1.0
  Be  Be5  1  0.16999213  0.83000787  0.75319060  1.0
  Be  Be6  1  0.66001675  0.83000787  0.75319060  1.0
  Be  Be7  1  0.34026611  0.17013355  0.24668987  1.0
  Be  Be8  1  0.82986645  0.17013355  0.24668987  1.0
  Be  Be9  1  0.16999213  0.33998325  0.75319060  1.0
  Fe  Fe10  1  0.33333300  0.66666700  0.06060423  1.0
  Ir  Ir11  1  0.66666700  0.33333300  0.56499391  1.0