data_[Er16Ag2Hg4]
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 [17.8643]
_cell_length_b [5.1287]
_cell_length_c [6.8973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8AgHg2]
_chemical_formula_sum '[Er16 Ag2 Hg4]'
_cell_volume [611.3862]
_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  0.0253  0.0000  0.7690  1.0
  Er  Er1  4  0.0904  0.5000  0.4542  1.0
  Er  Er2  4  0.1623  0.5000  0.9662  1.0
  Er  Er3  4  0.1987  0.0000  0.3108  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1888  0.0000  0.7272  1.0
]