data_[Tb2Ho12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5330]
_cell_length_b [3.6870]
_cell_length_c [11.8294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Ho3Hg)2]
_chemical_formula_sum '[Tb2 Ho12 Hg4]'
_cell_volume [517.4097]
_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  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  4  0.0157  0.0000  0.3388  1.0
  Ho  Ho2  4  0.1875  0.5000  0.5845  1.0
  Ho  Ho3  4  0.1878  0.5000  0.8761  1.0
  Hg  Hg4  4  0.1448  0.5000  0.2081  1.0
]