data_[Nd6Cu4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1282]
_cell_length_b [4.2388]
_cell_length_c [8.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(CuGe2)2]
_chemical_formula_sum '[Nd6 Cu4 Ge8]'
_cell_volume [388.3463]
_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  0.1612  0.5000  0.6680  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1109  0.5000  0.2846  1.0
  Ge  Ge3  4  0.0623  0.0000  0.3870  1.0
  Ge  Ge4  4  0.2136  0.5000  0.0611  1.0
]