data_[Rb2Sc2Be2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  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 [9.0069]
_cell_length_b [3.7115]
_cell_length_c [9.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbScBeS3]
_chemical_formula_sum '[Rb2 Sc2 Be2 S6]'
_cell_volume [282.8099]
_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  0.2129  0.2500  0.2404  1.0
  Sc  Sc1  2  0.3337  0.7500  0.8599  1.0
  Be  Be2  2  0.0794  0.2500  0.6054  1.0
  S  S3  2  0.1277  0.2500  0.8451  1.0
  S  S4  2  0.1722  0.7500  0.5394  1.0
  S  S5  2  0.4765  0.7500  0.1589  1.0
]