data_[Rb4As8Se16]
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 [Cmcm]
_cell_length_a [3.8256]
_cell_length_b [12.9415]
_cell_length_c [15.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb(AsSe2)2]
_chemical_formula_sum '[Rb4 As8 Se16]'
_cell_volume [745.7354]
_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  0.0000  0.4108  0.2500  1
  As  As1  8  0.0000  0.1423  0.0622  1
  Se  Se2  8  0.0000  0.2227  0.5955  1
  Se  Se3  4  0.0000  0.1284  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]