data_[Rb6Y2Bi4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  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 [7.5012]
_cell_length_b [12.9909]
_cell_length_c [8.3917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Y(BiSe3)2]
_chemical_formula_sum '[Rb6 Y2 Bi4 Se12]'
_cell_volume [780.6502]
_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  0.1695  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3337  0.0000  1.0
  Se  Se4  8  0.2295  0.1631  0.1994  1.0
  Se  Se5  4  0.2406  0.5000  0.2003  1.0
]