data_[Rb4Er4Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  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 [7.1640]
_cell_length_b [12.3678]
_cell_length_c [8.6425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Er2BiSe6]
_chemical_formula_sum '[Rb4 Er4 Bi2 Se12]'
_cell_volume [737.3834]
_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  0.1643  0.0000  1.0
  Er  Er1  4  0.0000  0.3328  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2340  0.1698  0.6946  1.0
  Se  Se4  4  0.2228  0.5000  0.6935  1.0
]