data_[Y4Ni2Ge12]
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 [Amm2]
_cell_length_a [4.0772]
_cell_length_b [4.0039]
_cell_length_c [21.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y2NiGe6]
_chemical_formula_sum '[Y4 Ni2 Ge12]'
_cell_volume [350.5876]
_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  2  0.5000  0.0000  0.0026  1
  Y  Y1  2  0.5000  0.0000  0.3393  1
  Ni  Ni2  2  0.0000  0.0000  0.7814  1
  Ge  Ge3  2  0.0000  0.0000  0.1057  1
  Ge  Ge4  2  0.0000  0.0000  0.2229  1
  Ge  Ge5  2  0.0000  0.0000  0.4637  1
  Ge  Ge6  2  0.0000  0.0000  0.8890  1
  Ge  Ge7  2  0.5000  0.0000  0.6084  1
  Ge  Ge8  2  0.5000  0.0000  0.7250  1
]