data_[Y4Fe4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1768]
_cell_length_b [21.5885]
_cell_length_c [4.1384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [YFeGe3]
_chemical_formula_sum '[Y4 Fe4 Ge12]'
_cell_volume [373.1687]
_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
[
  Y  Y0  4  0.0000  0.1700  0.5000  1.0
  Fe  Fe1  4  0.0000  0.3915  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0599  0.0000  1.0
  Ge  Ge3  4  0.0000  0.2866  0.0000  1.0
  Ge  Ge4  4  0.0000  0.4414  0.5000  1.0
]