data_[Sm6Tm8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5334]
_cell_length_b [11.5419]
_cell_length_c [8.1403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(TmSe2)4]
_chemical_formula_sum '[Sm6 Tm8 Se16]'
_cell_volume [768.7615]
_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
[
  Sm  Sm0  4  0.2500  0.2500  0.5000  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.2500  0.2500  0.0000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Tm  Tm4  2  0.0000  0.0000  0.5000  1
  Se  Se5  4  0.0000  0.2455  0.5000  1
  Se  Se6  4  0.0000  0.2497  0.0000  1
  Se  Se7  4  0.2446  0.0000  0.4984  1
  Se  Se8  4  0.2457  0.0000  0.9911  1
]