data_[Rb2Er2Hg2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6610]
_cell_length_b [4.5153]
_cell_length_c [11.0050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbErHgTe3]
_chemical_formula_sum '[Rb2 Er2 Hg2 Te6]'
_cell_volume [453.0875]
_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  0.2206  0.2500  0.2546  1.0
  Er  Er1  2  0.3279  0.7500  0.8635  1.0
  Hg  Hg2  2  0.0843  0.2500  0.6132  1.0
  Te  Te3  2  0.1081  0.2500  0.8738  1.0
  Te  Te4  2  0.2395  0.7500  0.5528  1.0
  Te  Te5  2  0.4639  0.7500  0.1533  1.0
]