data_[Fe4Ge8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7780]
_cell_length_b [3.1206]
_cell_length_c [7.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeGe2]
_chemical_formula_sum '[Fe4 Ge8]'
_cell_volume [174.1646]
_cell_formula_units_Z [4]
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  4  0.1500  0.0000  0.1918  1.0
  Ge  Ge1  4  0.0993  0.5000  0.8907  1.0
  Ge  Ge2  4  0.1552  0.0000  0.5512  1.0
]