data_[Nd6Ni4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [10.9074]
_cell_length_b [4.2628]
_cell_length_c [8.3176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(NiGe2)2]
_chemical_formula_sum '[Nd6 Ni4 Ge8]'
_cell_volume [367.3413]
_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
[
  Nd  Nd0  4  0.1203  0.5000  0.6876  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.1821  0.5000  0.3468  1.0
  Ge  Ge3  4  0.1097  0.0000  0.4028  1.0
  Ge  Ge4  4  0.2147  0.5000  0.0758  1.0
]