data_[Rb4Bi4Se6]
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 [C2/m]
_cell_length_a [11.7867]
_cell_length_b [5.7281]
_cell_length_c [7.3302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Bi2Se3]
_chemical_formula_sum '[Rb4 Bi4 Se6]'
_cell_volume [489.7541]
_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  4  0.1297  0.5000  0.8506  1.0
  Bi  Bi1  4  0.1126  0.0000  0.3834  1.0
  Se  Se2  4  0.1731  0.5000  0.3503  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]