data_[Nd4Mn4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5124]
_cell_length_b [4.1056]
_cell_length_c [10.3768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdMnGe2]
_chemical_formula_sum '[Nd4 Mn4 Ge8]'
_cell_volume [320.0517]
_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  0.1385  0.7500  0.1321  1.0
  Mn  Mn1  4  0.0170  0.2500  0.3963  1.0
  Ge  Ge2  4  0.1579  0.7500  0.8074  1.0
  Ge  Ge3  4  0.2137  0.7500  0.4392  1.0
]