data_[Rb16Bi4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3455]
_cell_length_b [8.4537]
_cell_length_c [19.5583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb8Bi2Se]
_chemical_formula_sum '[Rb16 Bi4 Se2]'
_cell_volume [1049.1736]
_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  8  0.0000  0.2474  0.3626  1
  Rb  Rb1  4  0.0000  0.0000  0.2037  1
  Rb  Rb2  4  0.0000  0.2534  0.0000  1
  Bi  Bi3  4  0.0000  0.5000  0.1746  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
]