data_[Ac6Ce2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3749]
_cell_length_b [8.4579]
_cell_length_c [7.3562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ac3CeS4]
_chemical_formula_sum '[Ac6 Ce2 S8]'
_cell_volume [432.9396]
_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  2  0.0000  0.3729  0.7500  1
  Ac  Ac1  2  0.5000  0.1239  0.7500  1
  Ac  Ac2  2  0.5000  0.3733  0.2500  1
  Ce  Ce3  2  0.0000  0.1221  0.2500  1
  S  S4  4  0.2391  0.1193  0.0002  1
  S  S5  4  0.2434  0.3691  0.4937  1
]