data_[Fe2Ge4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9827]
_cell_length_b [7.3922]
_cell_length_c [5.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [FeGe2Ir]
_chemical_formula_sum '[Fe2 Ge4 Ir2]'
_cell_volume [115.1653]
_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
[
  Fe  Fe0  2  0.1324  0.2500  0.9857  1
  Ge  Ge1  4  0.2700  0.5420  0.7628  1
  Ir  Ir2  2  0.3370  0.2500  0.5204  1
]