data_[Nd4Ni20Ge12]
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 [Cmcm]
_cell_length_a [3.7764]
_cell_length_b [12.1041]
_cell_length_c [11.8380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdNi5Ge3]
_chemical_formula_sum '[Nd4 Ni20 Ge12]'
_cell_volume [541.1101]
_cell_formula_units_Z [4]
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  0.0000  0.1620  0.2500  1
  Ni  Ni1  8  0.0000  0.1935  0.5659  1
  Ni  Ni2  8  0.0000  0.4486  0.1444  1
  Ni  Ni3  4  0.0000  0.0000  0.0000  1
  Ge  Ge4  8  0.0000  0.3806  0.5436  1
  Ge  Ge5  4  0.0000  0.1123  0.7500  1
]