data_[Er4Tm2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8438]
_cell_length_b [4.9396]
_cell_length_c [7.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2TmHg8]
_chemical_formula_sum '[Er4 Tm2 Hg16]'
_cell_volume [538.0432]
_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  0.2171  0.0000  0.6569  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0307  0.0000  0.7309  1.0
  Hg  Hg3  4  0.0970  0.5000  0.4537  1.0
  Hg  Hg4  4  0.1491  0.0000  0.1850  1.0
  Hg  Hg5  4  0.1720  0.5000  0.9019  1.0
]