data_[Al4Fe4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [12.3371]
_cell_length_b [3.0059]
_cell_length_c [4.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlFeGe]
_chemical_formula_sum '[Al4 Fe4 Ge4]'
_cell_volume [177.7266]
_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
[
  Al  Al0  4  0.1475  0.0000  0.2184  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  2  0.0000  0.5000  0.0000  1
  Ge  Ge3  4  0.1443  0.5000  0.7183  1
]