data_[Ac4La6Ce2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9734]
_cell_length_b [4.3399]
_cell_length_c [8.7405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2La3CeSe6]
_chemical_formula_sum '[Ac4 La6 Ce2 Se12]'
_cell_volume [700.3927]
_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  0.1646  0.0000  0.3307  1
  La  La1  4  0.1681  0.0000  0.8357  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0037  0.0000  0.7558  1
  Se  Se5  4  0.1644  0.5000  0.0757  1
  Se  Se6  4  0.1653  0.5000  0.5892  1
]