data_[Cs1Ac2Be2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5397]
_cell_length_b [7.6433]
_cell_length_c [7.7740]
_cell_angle_alpha [62.4711]
_cell_angle_beta [67.9864]
_cell_angle_gamma [65.4525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAc2(BeS3)2]
_chemical_formula_sum '[Cs1 Ac2 Be2 S6]'
_cell_volume [351.9662]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Ac  Ac1  2  0.2062  0.2001  0.1523  1
  Be  Be2  2  0.2065  0.9238  0.7824  1
  S  S3  2  0.0187  0.1233  0.5934  1
  S  S4  2  0.2007  0.6298  0.9262  1
  S  S5  2  0.3720  0.0440  0.8213  1
]