data_[Sr2Tb6Sm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  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 [18.2072]
_cell_length_b [4.1471]
_cell_length_c [8.4063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTb3(SmSe3)2]
_chemical_formula_sum '[Sr2 Tb6 Sm4 Se12]'
_cell_volume [616.5910]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1
  Tb  Tb1  4  0.1667  0.0000  0.8250  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.1716  0.0000  0.3439  1
  Se  Se4  4  0.0003  0.0000  0.2606  1
  Se  Se5  4  0.1628  0.5000  0.5867  1
  Se  Se6  4  0.1705  0.5000  0.0794  1
]