data_[Nd10Sc2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9518]
_cell_length_b [4.9849]
_cell_length_c [6.9499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ScGe4]
_chemical_formula_sum '[Nd10 Sc2 Ge8]'
_cell_volume [552.6131]
_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  0.1641  0.0000  0.5025  1
  Nd  Nd1  4  0.1646  0.0000  0.0061  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0076  0.0000  0.7692  1
  Ge  Ge5  4  0.1745  0.5000  0.2487  1
]