data_[Rb12As8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8871]
_cell_length_b [13.0483]
_cell_length_c [7.3946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(AsSe2)2]
_chemical_formula_sum '[Rb12 As8 Se16]'
_cell_volume [1339.4446]
_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  0.1280  0.1276  0.5708  1.0
  Rb  Rb1  4  0.0000  0.3923  0.2500  1.0
  As  As2  8  0.1961  0.3795  0.9198  1.0
  Se  Se3  8  0.1365  0.1572  0.0616  1.0
  Se  Se4  8  0.1532  0.3981  0.6119  1.0
]