data_[Y6Fe8Ge8]
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 [C2/m]
_cell_length_a [15.0004]
_cell_length_b [4.2171]
_cell_length_c [6.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(FeGe)4]
_chemical_formula_sum '[Y6 Fe8 Ge8]'
_cell_volume [384.5086]
_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
[
  Y  Y0  4  0.1270  0.0000  0.1043  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  4  0.1666  0.5000  0.8330  1.0
  Fe  Fe3  4  0.1855  0.5000  0.4958  1.0
  Ge  Ge4  4  0.0061  0.5000  0.2028  1.0
  Ge  Ge5  4  0.2218  0.0000  0.7403  1.0
]