# generated using pymatgen
data_Ta2Be8FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39385196
_cell_length_b   4.39385113
_cell_length_c   7.35897450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Be8FeIr
_chemical_formula_sum   'Ta2 Be8 Fe1 Ir1'
_cell_volume   123.03784804
_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  0.66666700  0.33333300  0.55931265  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.93991167  1.0
  Be  Be2  1  0.00000000  0.00000000  0.00562530  1.0
  Be  Be3  1  0.00000000  0.00000000  0.49099947  1.0
  Be  Be4  1  0.83237670  0.66475339  0.25106770  1.0
  Be  Be5  1  0.16665670  0.83334330  0.74850414  1.0
  Be  Be6  1  0.66668559  0.83334330  0.74850414  1.0
  Be  Be7  1  0.33524661  0.16762330  0.25106770  1.0
  Be  Be8  1  0.83237670  0.16762330  0.25106770  1.0
  Be  Be9  1  0.16665670  0.33331441  0.74850414  1.0
  Fe  Fe10  1  0.33333300  0.66666700  0.43918888  1.0
  Ir  Ir11  1  0.33333300  0.66666700  0.06624952  1.0