data_[Rb4Be4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5753]
_cell_length_b [3.7554]
_cell_length_c [9.9363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Be2Se3]
_chemical_formula_sum '[Rb4 Be4 Se6]'
_cell_volume [408.1449]
_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  0.0049  0.5000  0.7907  1
  Be  Be1  4  0.1932  0.0000  0.6912  1
  Se  Se2  4  0.2038  0.0000  0.2038  1
  Se  Se3  2  0.0000  0.0000  0.5000  1
]