data_[Rb8Ge4Se8]
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 [P2_1/c]
_cell_length_a [9.6390]
_cell_length_b [9.3901]
_cell_length_c [8.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2GeSe2]
_chemical_formula_sum '[Rb8 Ge4 Se8]'
_cell_volume [766.2585]
_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  4  0.0824  0.2260  0.0427  1.0
  Rb  Rb1  4  0.3460  0.6833  0.9882  1.0
  Ge  Ge2  4  0.3533  0.0920  0.8780  1.0
  Se  Se3  4  0.1413  0.5550  0.2537  1.0
  Se  Se4  4  0.4251  0.0242  0.1785  1.0
]