data_[Tb12Ge4P6Se2]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9072]
_cell_length_b [4.0083]
_cell_length_c [8.2990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ge2P3Se]
_chemical_formula_sum '[Tb12 Ge4 P6 Se2]'
_cell_volume [577.9929]
_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  0.7397  1.0
  Tb  Tb1  4  0.1641  0.5000  0.5922  1.0
  Tb  Tb2  4  0.1695  0.5000  0.0768  1.0
  Ge  Ge3  4  0.1667  0.0000  0.3337  1.0
  P  P4  4  0.1643  0.0000  0.8348  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]