data_[Tb6Tm4Th2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7467]
_cell_length_b [4.0529]
_cell_length_c [8.2629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Tm2ThSe6]
_chemical_formula_sum '[Tb6 Tm4 Th2 Se12]'
_cell_volume [582.1192]
_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  0.1582  0.0000  0.8354  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.1642  0.0000  0.3307  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0047  0.0000  0.2626  1
  Se  Se5  4  0.1699  0.5000  0.5810  1
  Se  Se6  4  0.1737  0.5000  0.0944  1
]