data_[Rb2Pu2Be2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2372]
_cell_length_b [3.9273]
_cell_length_c [9.2749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbPuBeS3]
_chemical_formula_sum '[Rb2 Pu2 Be2 S6]'
_cell_volume [318.7119]
_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
[
  Rb  Rb0  2  0.2008  0.7500  0.2333  1
  Pu  Pu1  2  0.3324  0.2500  0.8460  1
  Be  Be2  2  0.0755  0.7500  0.6032  1
  S  S3  2  0.1192  0.7500  0.8360  1
  S  S4  2  0.1584  0.2500  0.5285  1
  S  S5  2  0.4633  0.2500  0.1552  1
]