data_[Rb2Hg4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0810]
_cell_length_b [6.0133]
_cell_length_c [5.5211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbHg2Se]
_chemical_formula_sum '[Rb2 Hg4 Se2]'
_cell_volume [334.6880]
_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  0.3940  0.5000  0.3956  1.0
  Hg  Hg1  2  0.0558  0.5000  0.8865  1.0
  Hg  Hg2  2  0.2195  0.0000  0.8947  1.0
  Se  Se3  2  0.0553  0.5000  0.3864  1.0
]