data_[Nd2Ge12Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.5935]
_cell_length_b [6.5935]
_cell_length_c [9.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd(Ge3Os2)2]
_chemical_formula_sum '[Nd2 Ge12 Os8]'
_cell_volume [402.7673]
_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  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  8  0.1818  0.8182  0.7998  1.0
  Ge  Ge2  4  0.0000  0.5000  0.0000  1.0
  Os  Os3  8  0.1698  0.1698  0.9128  1.0
]