data_[Tb4Er16Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1814]
_cell_length_b [5.4830]
_cell_length_c [6.3182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Er8Hg]
_chemical_formula_sum '[Tb4 Er16 Hg2]'
_cell_volume [661.4833]
_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
[
  Tb  Tb0  4  0.2439  0.0000  0.3310  1.0
  Er  Er1  4  0.0439  0.0000  0.2662  1.0
  Er  Er2  4  0.0773  0.5000  0.6046  1.0
  Er  Er3  4  0.1552  0.0000  0.8008  1.0
  Er  Er4  4  0.1583  0.5000  0.1255  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]