# generated using pymatgen
data_Fe3Si4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55003085
_cell_length_b   4.55003085
_cell_length_c   4.55003025
_cell_angle_alpha   89.79462288
_cell_angle_beta   89.79462288
_cell_angle_gamma   89.79461638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Si4Ir
_chemical_formula_sum   'Fe3 Si4 Ir1'
_cell_volume   94.19646742
_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
  Fe  Fe0  1  0.13889500  0.36581100  0.63421900  1.0
  Fe  Fe1  1  0.63421900  0.13889500  0.36581100  1.0
  Fe  Fe2  1  0.36581100  0.63421900  0.13889500  1.0
  Si  Si3  1  0.17094600  0.17094600  0.17094600  1.0
  Si  Si4  1  0.83391600  0.64482100  0.34424000  1.0
  Si  Si5  1  0.34424000  0.83391600  0.64482100  1.0
  Si  Si6  1  0.64482100  0.34424000  0.83391600  1.0
  Ir  Ir7  1  0.86715200  0.86715200  0.86715200  1.0