data_[Rb4Ca2Be4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [14.9146]
_cell_length_b [3.8265]
_cell_length_c [7.8369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Ca(BeS2)2]
_chemical_formula_sum '[Rb4 Ca2 Be4 S8]'
_cell_volume [418.7247]
_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  0.1288  0.0000  0.5399  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1757  0.5000  0.9667  1.0
  S  S3  4  0.0381  0.5000  0.7798  1.0
  S  S4  4  0.2081  0.0000  0.1369  1.0
]