data_[Y1Ni6Ge4]
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 [P-6m2]
_cell_length_a [6.8005]
_cell_length_b [6.8005]
_cell_length_c [3.7613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Y(Ni3Ge2)2]
_chemical_formula_sum '[Y1 Ni6 Ge4]'
_cell_volume [150.6448]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  3  0.0740  0.5370  0.0000  1.0
  Ni  Ni2  3  0.4110  0.2055  0.5000  1.0
  Ge  Ge3  3  0.1919  0.3838  0.5000  1.0
  Ge  Ge4  1  0.6667  0.3333  0.0000  1.0
]