data_[Ac4Sm2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [14.2654]
_cell_length_b [4.1544]
_cell_length_c [8.7971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2SmSe4]
_chemical_formula_sum '[Ac4 Sm2 Se8]'
_cell_volume [440.6886]
_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  0.1455  0.5000  0.7039  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.0561  0.0000  0.3707  1
  Se  Se3  4  0.1661  0.5000  0.0823  1
]