data_[Rb2Hg2Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4169]
_cell_length_b [4.3769]
_cell_length_c [10.3946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHgBiSe3]
_chemical_formula_sum '[Rb2 Hg2 Bi2 Se6]'
_cell_volume [412.1219]
_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  0.1985  0.2500  0.2424  1.0
  Hg  Hg1  2  0.0962  0.2500  0.6173  1.0
  Bi  Bi2  2  0.3355  0.7500  0.8729  1.0
  Se  Se3  2  0.1228  0.2500  0.8809  1.0
  Se  Se4  2  0.2133  0.7500  0.5282  1.0
  Se  Se5  2  0.4496  0.7500  0.1470  1.0
]