data_[Tb4Cu1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9801]
_cell_length_b [4.0889]
_cell_length_c [16.6099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4CuGe8]
_chemical_formula_sum '[Tb4 Cu1 Ge8]'
_cell_volume [270.3166]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.0000  0.0976  1
  Tb  Tb1  1  0.0000  0.5000  0.6088  1
  Tb  Tb2  1  0.5000  0.0000  0.8916  1
  Tb  Tb3  1  0.5000  0.5000  0.3981  1
  Cu  Cu4  1  0.0000  0.0000  0.3227  1
  Ge  Ge5  1  0.0000  0.0000  0.4651  1
  Ge  Ge6  1  0.0000  0.0000  0.7470  1
  Ge  Ge7  1  0.0000  0.5000  0.2372  1
  Ge  Ge8  1  0.0000  0.5000  0.9421  1
  Ge  Ge9  1  0.5000  0.0000  0.2371  1
  Ge  Ge10  1  0.5000  0.0000  0.5610  1
  Ge  Ge11  1  0.5000  0.5000  0.0413  1
  Ge  Ge12  1  0.5000  0.5000  0.7534  1
]