data_[Nb4Co4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1102]
_cell_length_b [20.8046]
_cell_length_c [3.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NbCoGe3]
_chemical_formula_sum '[Nb4 Co4 Ge12]'
_cell_volume [324.9523]
_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
[
  Nb  Nb0  4  0.0000  0.1770  0.5000  1
  Co  Co1  4  0.0000  0.3841  0.0000  1
  Ge  Ge2  4  0.0000  0.0630  0.0000  1
  Ge  Ge3  4  0.0000  0.2803  0.0000  1
  Ge  Ge4  4  0.0000  0.4410  0.5000  1
]