data_[Er10Ag4Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2606]
_cell_length_b [8.8229]
_cell_length_c [7.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5(AgHg6)2]
_chemical_formula_sum '[Er10 Ag4 Hg24]'
_cell_volume [927.1675]
_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  0.1778  0.5000  0.0467  1.0
  Er  Er1  4  0.2455  0.5000  0.5633  1.0
  Er  Er2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.0000  0.2735  0.0000  1.0
  Hg  Hg4  8  0.1185  0.2710  0.3489  1.0
  Hg  Hg5  8  0.1641  0.2004  0.7621  1.0
  Hg  Hg6  4  0.0394  0.5000  0.7084  1.0
  Hg  Hg7  4  0.1125  0.0000  0.0908  1.0
]