data_[Rb2Sn6Bi4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  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 [19.1462]
_cell_length_b [4.2380]
_cell_length_c [9.2424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSn3(BiSe3)2]
_chemical_formula_sum '[Rb2 Sn6 Bi4 Se12]'
_cell_volume [735.4966]
_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  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1698  0.0000  0.8282  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.1660  0.0000  0.3461  1.0
  Se  Se4  4  0.0188  0.0000  0.2842  1.0
  Se  Se5  4  0.1627  0.5000  0.6102  1.0
  Se  Se6  4  0.1818  0.5000  0.1309  1.0
]