data_[Tb12Ge2Sb6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5982]
_cell_length_b [4.2645]
_cell_length_c [8.5718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6GeSb3Se2]
_chemical_formula_sum '[Tb12 Ge2 Sb6 Se4]'
_cell_volume [661.2423]
_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  4  0.0012  0.0000  0.2358  1.0
  Tb  Tb1  4  0.1602  0.5000  0.0843  1.0
  Tb  Tb2  4  0.1677  0.5000  0.5792  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1692  0.0000  0.8324  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1673  0.0000  0.3357  1.0
]