data_[Nd8Co12Ge20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.8080]
_cell_length_b [11.8340]
_cell_length_c [5.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Co3Ge5]
_chemical_formula_sum '[Nd8 Co12 Ge20]'
_cell_volume [684.6327]
_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  8  0.2359  0.1344  0.0000  1.0
  Co  Co1  8  0.1077  0.1372  0.5000  1.0
  Co  Co2  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge3  8  0.0000  0.2680  0.2500  1.0
  Ge  Ge4  8  0.1584  0.4027  0.0000  1.0
  Ge  Ge5  4  0.0000  0.0000  0.2500  1.0
]