data_[Tb12Ge4As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0612]
_cell_length_b [4.1420]
_cell_length_c [8.3070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ge2AsSe3]
_chemical_formula_sum '[Tb12 Ge4 As2 Se6]'
_cell_volume [604.8509]
_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  0.0040  0.0000  0.2452  1.0
  Tb  Tb1  4  0.1648  0.5000  0.0921  1.0
  Tb  Tb2  4  0.1693  0.5000  0.5762  1.0
  Ge  Ge3  4  0.1665  0.0000  0.3325  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1655  0.0000  0.8339  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]