data_[Cs6Sr2Ac4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0399]
_cell_length_b [13.9243]
_cell_length_c [8.8249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sr(AcSe3)2]
_chemical_formula_sum '[Cs6 Sr2 Ac4 Se12]'
_cell_volume [941.3870]
_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
[
  Cs  Cs0  4  0.0000  0.1644  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Ac  Ac3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2350  0.1692  0.1974  1
  Se  Se5  4  0.2272  0.5000  0.1963  1
]