data_[Er2Cd8Hg14]
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 [C2/m]
_cell_length_a [12.7399]
_cell_length_b [6.1742]
_cell_length_c [9.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCd4Hg7]
_chemical_formula_sum '[Er2 Cd8 Hg14]'
_cell_volume [630.7381]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0028  0.5000  0.3329  1.0
  Cd  Cd2  4  0.2478  0.5000  0.3279  1.0
  Hg  Hg3  4  0.0012  0.0000  0.3371  1.0
  Hg  Hg4  4  0.2417  0.5000  0.6579  1.0
  Hg  Hg5  4  0.2496  0.0000  0.0022  1.0
  Hg  Hg6  2  0.0000  0.5000  0.0000  1.0
]