data_[Rb8Ge12Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.3165]
_cell_length_b [11.2033]
_cell_length_c [14.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb2Ge3Se4]
_chemical_formula_sum '[Rb8 Ge12 Se16]'
_cell_volume [1228.9679]
_cell_formula_units_Z [4]
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  8  0.2229  0.3945  0.5000  1
  Ge  Ge1  8  0.0000  0.1951  0.2500  1
  Ge  Ge2  4  0.0000  0.5000  0.2500  1
  Se  Se3  16  0.1650  0.3376  0.1422  1
]