data_[Y24Ge40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.7971]
_cell_length_b [17.4345]
_cell_length_c [13.8093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Y3Ge5]
_chemical_formula_sum '[Y24 Ge40]'
_cell_volume [1395.7034]
_cell_formula_units_Z [8]
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  16  0.0153  0.1681  0.5031  1.0
  Y  Y1  8  0.0000  0.0000  0.9952  1.0
  Ge  Ge2  16  0.0006  0.1630  0.0824  1.0
  Ge  Ge3  16  0.0623  0.1858  0.8991  1.0
  Ge  Ge4  8  0.0000  0.0000  0.4439  1.0
]