data_[Cu4Ge4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1851]
_cell_length_b [3.8631]
_cell_length_c [4.8645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuGeB]
_chemical_formula_sum '[Cu4 Ge4 B4]'
_cell_volume [160.8136]
_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
[
  Cu  Cu0  2  0.0000  0.0813  0.5000  1
  Cu  Cu1  2  0.0000  0.3994  0.0000  1
  Ge  Ge2  4  0.1877  0.5559  0.7341  1
  B  B3  4  0.0839  0.9047  0.9603  1
]