data_[Ac4Ce6Sm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [18.7436]
_cell_length_b [4.2738]
_cell_length_c [8.6385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Ce3SmSe6]
_chemical_formula_sum '[Ac4 Ce6 Sm2 Se12]'
_cell_volume [672.3757]
_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
[
  Ac  Ac0  4  0.1648  0.0000  0.3310  1
  Ce  Ce1  4  0.1684  0.0000  0.8350  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0053  0.0000  0.7554  1
  Se  Se5  4  0.1637  0.5000  0.5927  1
  Se  Se6  4  0.1646  0.5000  0.0709  1
]