data_[Rb6U6Be2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  U  1.3800  1.7500  0.9913
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1886]
_cell_length_b [8.3342]
_cell_length_c [8.7749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3U3BeS8]
_chemical_formula_sum '[Rb6 U6 Be2 S16]'
_cell_volume [853.6772]
_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  4  0.2500  0.2500  0.0000  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  U  U2  4  0.2500  0.2500  0.5000  1
  U  U3  2  0.0000  0.5000  0.5000  1
  Be  Be4  2  0.0000  0.0000  0.5000  1
  S  S5  8  0.0263  0.2763  0.2985  1
  S  S6  4  0.1746  0.0000  0.6461  1
  S  S7  4  0.2333  0.5000  0.6941  1
]