data_[Rb2Gd2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Gd  1.2000  1.8000  1.0750
  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 [9.2841]
_cell_length_b [4.5213]
_cell_length_c [11.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbGdHgTe3]
_chemical_formula_sum '[Rb2 Gd2 Hg2 Te6]'
_cell_volume [448.5063]
_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  0.2515  0.7500  0.7154  1
  Gd  Gd1  2  0.1815  0.2500  0.1361  1
  Hg  Hg2  2  0.4165  0.7500  0.3803  1
  Te  Te3  2  0.0428  0.2500  0.8517  1
  Te  Te4  2  0.2550  0.2500  0.4401  1
  Te  Te5  2  0.4177  0.7500  0.1332  1
]