data_[Y6Ni8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1081]
_cell_length_b [6.7025]
_cell_length_c [13.5310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3(NiGe)4]
_chemical_formula_sum '[Y6 Ni8 Ge8]'
_cell_volume [372.5722]
_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  0.0000  0.0000  0.1291  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  8  0.0000  0.1946  0.3229  1.0
  Ge  Ge3  4  0.0000  0.3061  0.5000  1.0
  Ge  Ge4  4  0.0000  0.5000  0.2175  1.0
]