data_[Er4Cd10Hg24]
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 [14.7116]
_cell_length_b [10.1088]
_cell_length_c [6.5194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Cd5Hg12]
_chemical_formula_sum '[Er4 Cd10 Hg24]'
_cell_volume [967.8093]
_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  4  0.0000  0.2539  0.0000  1.0
  Cd  Cd1  4  0.1604  0.5000  0.8714  1.0
  Cd  Cd2  4  0.2291  0.0000  0.5145  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1078  0.2457  0.6131  1.0
  Hg  Hg5  8  0.1961  0.2711  0.1980  1.0
  Hg  Hg6  4  0.0467  0.5000  0.2858  1.0
  Hg  Hg7  4  0.1196  0.0000  0.0435  1.0
]