data_[Er2Cd6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8361]
_cell_length_b [5.0008]
_cell_length_c [11.0171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(CdHg2)3]
_chemical_formula_sum '[Er2 Cd6 Hg12]'
_cell_volume [524.0310]
_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
[
  Er  Er0  2  0.3396  0.2500  0.0003  1.0
  Cd  Cd1  2  0.0116  0.7500  0.1874  1.0
  Cd  Cd2  2  0.1524  0.2500  0.6547  1.0
  Cd  Cd3  2  0.4981  0.7500  0.6439  1.0
  Hg  Hg4  2  0.1462  0.7500  0.9833  1.0
  Hg  Hg5  2  0.1562  0.7500  0.4912  1.0
  Hg  Hg6  2  0.1835  0.2500  0.1795  1.0
  Hg  Hg7  2  0.3225  0.2500  0.4900  1.0
  Hg  Hg8  2  0.3227  0.7500  0.8145  1.0
  Hg  Hg9  2  0.4952  0.7500  0.1839  1.0
]