data_[Ni12Sn4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5753]
_cell_length_b [6.9549]
_cell_length_c [11.0117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ni6Sn2Ge]
_chemical_formula_sum '[Ni12 Sn4 Ge2]'
_cell_volume [273.8150]
_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
[
  Ni  Ni0  8  0.0000  0.2259  0.1659  1
  Ni  Ni1  4  0.0000  0.2860  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.3501  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]