data_[Tb2Sc2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8914]
_cell_length_b [5.6440]
_cell_length_c [7.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TbScGe2]
_chemical_formula_sum '[Tb2 Sc2 Ge4]'
_cell_volume [171.0590]
_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
[
  Tb  Tb0  2  0.0000  0.1306  0.6813  1.0
  Sc  Sc1  2  0.5000  0.3703  0.3182  1.0
  Ge  Ge2  2  0.0000  0.3991  0.0423  1.0
  Ge  Ge3  2  0.5000  0.1044  0.9582  1.0
]