data_[Y6Ni4Ge8]
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 [C2/m]
_cell_length_a [10.6121]
_cell_length_b [4.1771]
_cell_length_c [8.0820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(NiGe2)2]
_chemical_formula_sum '[Y6 Ni4 Ge8]'
_cell_volume [343.1536]
_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  0.1247  0.5000  0.6941  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.1920  0.5000  0.3696  1.0
  Ge  Ge3  4  0.0911  0.0000  0.3996  1.0
  Ge  Ge4  4  0.2084  0.5000  0.0769  1.0
]