data_[Nd6Ag8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.0161]
_cell_length_b [4.4063]
_cell_length_c [4.1845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(AgGe)4]
_chemical_formula_sum '[Nd6 Ag8 Ge8]'
_cell_volume [492.5329]
_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  0.1500  0.5000  0.1555  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0936  0.0000  0.6008  1.0
  Ag  Ag3  4  0.2485  0.5000  0.7500  1.0
  Ge  Ge4  4  0.0466  0.5000  0.5169  1.0
  Ge  Ge5  4  0.1887  0.0000  0.6887  1.0
]