data_[Rb4Er2Hg4Se8]
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
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7348]
_cell_length_b [4.2148]
_cell_length_c [8.5694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Er(HgSe2)2]
_chemical_formula_sum '[Rb4 Er2 Hg4 Se8]'
_cell_volume [554.6868]
_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  0.1270  0.0000  0.5698  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1893  0.5000  0.0188  1.0
  Se  Se3  4  0.0203  0.5000  0.7840  1.0
  Se  Se4  4  0.1824  0.0000  0.2235  1.0
]