data_[Tb2Ce6Sm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1917]
_cell_length_b [12.5012]
_cell_length_c [7.2659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCe3(SmSe3)2]
_chemical_formula_sum '[Tb2 Ce6 Sm4 Se12]'
_cell_volume [616.3786]
_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  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.1685  0.5000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  4  0.0000  0.3335  0.0000  1.0
  Se  Se4  8  0.2457  0.1648  0.2435  1.0
  Se  Se5  4  0.2478  0.0000  0.7545  1.0
]