data_[Rb6La4Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  La  1.1000  1.9500  1.1720
  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 [7.6881]
_cell_length_b [13.3164]
_cell_length_c [8.4204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3La2BiSe6]
_chemical_formula_sum '[Rb6 La4 Bi2 Se12]'
_cell_volume [821.1736]
_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  4  0.0000  0.1658  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.0000  0.3333  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2324  0.1650  0.2022  1.0
  Se  Se5  4  0.2373  0.5000  0.2020  1.0
]