data_[Nd4Fe4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3435]
_cell_length_b [16.3202]
_cell_length_c [4.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdFeGe2]
_chemical_formula_sum '[Nd4 Fe4 Ge8]'
_cell_volume [308.8391]
_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  0.1053  0.7500  1.0
  Fe  Fe1  4  0.0000  0.3110  0.7500  1.0
  Ge  Ge2  4  0.0000  0.2506  0.2500  1.0
  Ge  Ge3  4  0.0000  0.4535  0.7500  1.0
]